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DOE OSTI2026

CRADA Abstract 2025-01U-JWS01

CRADA abstract for collaboration with Washington State University on shock physics research. Public abstract at time of execution is required per DOE O 483.1B.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

CRADA Abstract - 2023-01U-JWS04

Abstract for CRADA joint work statement 4 with UNLV to support the BUILTT for DOE project. CRADA abstract is required to be submitted to OSTI after execution of agreement per DOE O 483.1B.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Materials Data on U11Se20 by Materials Project

U11Se20 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-two inequivalent U+3.64+ sites. In the first U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–2.97 Å. In the second U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.21 Å. In the third U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.87–3.16 Å. In the fourth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.17 Å. In the fifth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.24 Å. In the sixth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.18 Å. In the seventh U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.20 Å. In the eighth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.19 Å. In the ninth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.16 Å. In the tenth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–2.99 Å. In the eleventh U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–3.00 Å. In the twelfth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–2.97 Å. In the thirteenth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.87–3.16 Å. In the fourteenth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.19 Å. In the fifteenth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.23 Å. In the sixteenth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.20 Å. In the seventeenth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.87–3.17 Å. In the eighteenth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.19 Å. In the nineteenth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.25 Å. In the twentieth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–3.18 Å. In the twenty-first U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–3.00 Å. In the twenty-second U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–2.99 Å. There are forty inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four U+3.64+ atoms to form SeU4 tetrahedra that share a cornercorner with one SeU5 trigonal bipyramid, corners with four SeU4 trigonal pyramids, edges with two equivalent SeU4 tetrahedra, an edgeedge with one SeU5 trigonal bipyramid, and an edgeedge with one SeU4 trigonal pyramid. In the second Se2- site, Se2- is bonded to four U+3.64+ atoms to form SeU4 tetrahedra that share corners with three SeU5 trigonal bipyramids, corners with four SeU4 trigonal pyramids, edges with two equivalent SeU4 tetrahedra, and an edgeedge with one SeU4 trigonal pyramid. In the third Se2- site, Se2- is bonded to four U+3.64+ atoms to form SeU4 tetrahedra that share corners with four SeU5 trigonal bipyramids, corners with four SeU4 trigonal pyramids, edges with two equivalent SeU4 tetrahedra, an edgeedge with one SeU5 trigonal bipyramid, and an edgeedge with one SeU4 trigonal pyramid. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the fifth Se2- site, Se2- is bonded to five U+3.64+ atoms to form distorted SeU5 trigonal bipyramids that share corners with four SeU4 tetrahedra, corners with four SeU4 trigonal pyramids, an edgeedge with one SeU4 tetrahedra, and edges with three SeU5 trigonal bipyramids. In the sixth Se2- site, Se2- is bonded to five U+3.64+ atoms to form distorted SeU5 trigonal bipyramids that share corners with four SeU4 tetrahedra, corners with two equivalent SeU5 trigonal bipyramids, corners with four SeU4 trigonal pyramids, an edgeedge with one SeU4 tetrahedra, and edges with two equivalent SeU5 trigonal bipyramids. In the seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the eighth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the tenth Se2- site, Se2- is bonded to five U+3.64+ atoms to form distorted SeU5 trigonal bipyramids that share corners with four SeU4 tetrahedra, corners with two equivalent SeU5 trigonal bipyramids, corners with four SeU4 trigonal pyramids, an edgeedge with one SeU4 tetrahedra, and an edgeedge with one SeU5 trigonal bipyramid. In the eleventh Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the twelfth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U+3.64+ atoms. In the thirteenth Se2- site, Se2- is bonded to four U+3.64+ atoms to form distorted SeU4 trigonal pyramids that share corners with four SeU4 tetrahedra, corners with two SeU5 trigonal bipyramids, a cornercorner with one SeU4 trigonal pyramid, an edgeedge with one SeU4 tetrahedra, and edges with two SeU4 trigonal pyramids. In the fourteenth Se2- site, Se2- is bonded to four U+3.64+ atoms to form distorted SeU4 trigonal pyramids that share corners with four SeU4 tetrahedra, corners with two equivalent SeU5 trigonal bipyramids, a cornercorner with one SeU4 trigonal pyramid, an edgeedge with one SeU4 tetrahedra, and edges with two SeU4 trigonal pyramids. In the fifteenth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U+3.64+ atoms. In the sixteenth Se2- site, Se2- is bonded to four U+3.64+ atoms to form distorted SeU4 trigonal pyramids that share corners with four SeU4 tetrahedra, corners with four SeU5 trigonal bipyramids, a cornercorner with one SeU4 trigonal pyramid, an edgeedge with one SeU4 tetrahedra, and edges with two SeU4 trigonal pyramids. In the seventeenth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U+3.64+ atoms. In the eighteenth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U+3.64+ atoms. In the nineteenth Se2- site, Se2- is bonded to four U+3.64+ atoms to form distorted SeU4 trigonal pyramids that share corners with four SeU4 tetrahedra, corners with four SeU5 trigonal bipyramids, a cornercorner with one SeU4 trigonal pyramid, an edgeedge with one SeU4 tetrahedra, and edges with two SeU4 trigonal pyramids. In the twentieth Se2- site, Se2- is bonded to four U+3.64+ atoms to form SeU4 tetrahedra that share corners with four SeU5 trigonal bipyramids, corners with four SeU4 trigonal pyramids, edges with two equivalent SeU4 tetrahedra, an edgeedge with one SeU5 trigonal bipyramid, and an edgeedge with one SeU4 trigonal pyramid. In the twenty-first Se2- site, Se2- is bonded to four U+3.64+ atoms to form SeU4 tetrahedra that share corners with three SeU5 trigonal bipyramids, corners with four SeU4 trigonal pyramids, edges with two equivalent SeU4 tetrahedra, and an edgeedge with one SeU4 trigonal pyramid. In the twenty-second Se2- site, Se2- is bonded to four U+3.64+ atoms to form SeU4 tetrahedra that share a cornercorner with one SeU5 trigonal bipyramid, corners with four SeU4 trigonal pyramids, edges with two equivalent SeU4 tetrahedra, an edgeedge with one SeU5 trigonal bipyramid, and an edgeedge with one SeU4 trigonal pyramid. In the twenty-third Se2- site, Se2- is bonded to four U+3.64+ atoms to form SeU4 tetrahedra that share corners with four SeU5 trigonal bipyramids, corners with four SeU4 trigonal pyramids, edges with two equivalent SeU4 tetrahedra, an edgeedge with one SeU5 trigonal bipyramid, and an edgeedge with one SeU4 trigonal pyramid. In the twenty-fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the twenty-fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the twenty-sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the twenty-seventh Se2- site, Se2- is bonded to five U+3.64+ atoms to form distorted SeU5 trigonal bipyramids that share corners with four SeU4 tetrahedra, corners with two equivalent SeU5 trigonal bipyramids, corners with four SeU4 trigonal pyramids, an edgeedge with one SeU4 tetrahedra, and edges with two equivalent SeU5 trigonal bipyramids. In the twenty-eighth Se2- site, Se2- is bonded to five U+3.64+ atoms to form distorted SeU5 trigonal bipyramids that share corners with four SeU4 tetrahedra, corners with two equivalent SeU5 trigonal bipyramids, corners with four SeU4 trigonal pyramids, an edgeedge with one SeU4 tetrahedra, and an edgeedge with one SeU5 trigonal bipyramid. In the twenty-ninth Se2- site, Se2- is bonded to five U+3.64+ atoms to form distorted SeU5 trigonal bipyramids that share corners with four SeU4 tetrahedra, corners with four SeU4 trigonal pyramids, an edgeedge with one SeU4 tetrahedra, and edges with three SeU5 trigonal bipyramids. In the thirtieth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the thirty-first Se2- site, Se2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the thirty-second Se2- site, Se2- is bonded to four U+3.64+ atoms to form distorted SeU4 trigonal pyramids that share corners with four SeU4 tetrahedra, corners with four SeU5 trigonal bipyramids, a cornercorner with one SeU4 trigonal pyramid, an edgeedge with one SeU4 tetrahedra, and edges with two SeU4 trigonal pyramids. In the thirty-third Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U+3.64+ atoms. In the thirty-fourth Se2- site, Se2- is bonded to four U+3.64+ atoms to form distorted SeU4 trigonal pyramids that share corners with four SeU4 tetrahedra, corners with two equivalent SeU5 trigonal bipyramids, a cornercorner with one SeU4 trigonal pyramid, an edgeedge with one SeU4 tetrahedra, and edges with two SeU4 trigonal pyramids. In the thirty-fifth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U+3.64+ atoms. In the thirty-sixth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U+3.64+ atoms. In the thirty-seventh Se2- site, Se2- is bonded to four U+3.64+ atoms to form distorted SeU4 trigonal pyramids that share corners with four SeU4 tetrahedra, corners with four SeU5 trigonal bipyramids, a cornercorner with one SeU4 trigonal pyramid, an edgeedge with one SeU4 tetrahedra, and edges with two SeU4 trigonal pyramids. In the thirty-eighth Se2-

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U17O31 by Materials Project

U17O31 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are seventeen inequivalent U+3.65+ sites. In the first U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.34–2.44 Å. In the second U+3.65+ site, U+3.65+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.37 Å. In the third U+3.65+ site, U+3.65+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.39 Å. In the fourth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.53 Å. In the fifth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.47 Å. In the sixth U+3.65+ site, U+3.65+ is bonded to seven O2- atoms to form distorted edge-sharing UO7 hexagonal pyramids. There are a spread of U–O bond distances ranging from 2.29–2.39 Å. In the seventh U+3.65+ site, U+3.65+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.23–2.36 Å. In the eighth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.32–2.44 Å. In the ninth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.34–2.56 Å. In the tenth U+3.65+ site, U+3.65+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing UO7 hexagonal pyramids. There are a spread of U–O bond distances ranging from 2.28–2.38 Å. In the eleventh U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.45 Å. In the twelfth U+3.65+ site, U+3.65+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing UO7 hexagonal pyramids. There are a spread of U–O bond distances ranging from 2.30–2.38 Å. In the thirteenth U+3.65+ site, U+3.65+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.25–2.33 Å. In the fourteenth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.48 Å. In the fifteenth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.49 Å. In the sixteenth U+3.65+ site, U+3.65+ is bonded to seven O2- atoms to form distorted edge-sharing UO7 hexagonal pyramids. There are a spread of U–O bond distances ranging from 2.29–2.38 Å. In the seventeenth U+3.65+ site, U+3.65+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.25–2.34 Å. There are thirty-one inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the sixth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the eighth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. In the ninth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the tenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the eleventh O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twelfth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the thirteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. In the fifteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the sixteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the seventeenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twentieth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. In the twenty-first O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-second O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-third O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-fourth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-fifth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-sixth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-seventh O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-eighth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-ninth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the thirtieth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the thirty-first O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U6Ni by Materials Project

U6Ni crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent U sites. In the first U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are a spread of U–U bond distances ranging from 2.55–3.33 Å. There are one shorter (2.80 Å) and one longer (2.82 Å) U–Ni bond lengths. In the second U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.73–3.36 Å. In the third U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.76–3.31 Å. In the fourth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are a spread of U–U bond distances ranging from 2.55–3.24 Å. Both U–Ni bond lengths are 2.81 Å. In the fifth U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.78–3.35 Å. In the sixth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are a spread of U–U bond distances ranging from 2.55–3.23 Å. There are one shorter (2.81 Å) and one longer (2.82 Å) U–Ni bond lengths. In the seventh U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are one shorter (2.55 Å) and one longer (3.36 Å) U–U bond lengths. There are one shorter (2.80 Å) and one longer (2.81 Å) U–Ni bond lengths. In the eighth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. The U–U bond length is 3.33 Å. Both U–Ni bond lengths are 2.80 Å. In the ninth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. The U–U bond length is 2.82 Å. There are one shorter (2.81 Å) and one longer (2.83 Å) U–Ni bond lengths. In the tenth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are one shorter (3.21 Å) and one longer (3.22 Å) U–U bond lengths. There are one shorter (2.80 Å) and one longer (2.81 Å) U–Ni bond lengths. In the eleventh U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. In the twelfth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are one shorter (2.80 Å) and one longer (2.82 Å) U–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to eight U and two equivalent Ni atoms. There are one shorter (2.55 Å) and one longer (2.56 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 10-coordinate geometry to eight U and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y5U2O12 by Materials Project

U2Y5O12 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent U+4.50+ sites. In the first U+4.50+ site, U+4.50+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.15–2.22 Å. In the second U+4.50+ site, U+4.50+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.15–2.19 Å. In the third U+4.50+ site, U+4.50+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.15–2.21 Å. In the fourth U+4.50+ site, U+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.64 Å. In the fifth U+4.50+ site, U+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.64 Å. In the sixth U+4.50+ site, U+4.50+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.15–2.21 Å. In the seventh U+4.50+ site, U+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.65 Å. In the eighth U+4.50+ site, U+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.18–2.66 Å. There are twenty inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.67 Å. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.67 Å. In the third Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.67 Å. In the fourth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.69 Å. In the fifth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.68 Å. In the sixth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.66 Å. In the seventh Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.70 Å. In the eighth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.67 Å. In the ninth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.73 Å. In the tenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.69 Å. In the eleventh Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.71 Å. In the twelfth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.72 Å. In the thirteenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.70 Å. In the fourteenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.70 Å. In the fifteenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.63 Å. In the sixteenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.72 Å. In the seventeenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.70 Å. In the eighteenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.74 Å. In the nineteenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.69 Å. In the twentieth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.71 Å. There are forty-eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the fourth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the eighth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the ninth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the twelfth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the fourteenth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the fifteenth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the seventeenth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of distorted corner and edge-sharing OY3U tetrahedra. In the eighteenth O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with six OY3U tetrahedra and edges with three OY4 tetrahedra. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the twentieth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the twenty-first O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the twenty-second O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the twenty-third O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the twenty-fourth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of distorted corner and edge-sharing OY3U tetrahedra. In the twenty-fifth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the twenty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the twenty-seventh O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with six OY3U tetrahedra and edges with three OY4 tetrahedra. In the twenty-eighth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the twenty-ninth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY3U tetrahedra and edges with three OY4 tetrahedra. In the thirtieth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the thirty-first O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of distorted corner and edge-sharing OY3U tetrahedra. In the thirty-second O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the thirty-third O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the thirty-fourth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the thirty-fifth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the thirty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the thirty-seventh O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the thirty-eighth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the thirty-ninth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the fortieth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the forty-first O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of distorted corner and edge-sharing OY3U tetrahedra. In the forty-second O2- site, O2- is bonded in a 3-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the forty-third O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the forty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the forty-fifth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the forty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the forty-seventh O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the forty-eighth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr9U9O34 by Materials Project

Sr9U9O34 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.91 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.88 Å. In the third Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 hexagonal pyramids that share a cornercorner with one UO7 pentagonal bipyramid and edges with two UO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.47–2.59 Å. In the fourth Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.88 Å. In the fifth Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.88 Å. In the sixth Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.71 Å. In the seventh Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.88 Å. In the eighth Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 hexagonal pyramids that share corners with three UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Sr–O bond distances ranging from 2.49–2.63 Å. In the ninth Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.86 Å. There are nine inequivalent U+5.56+ sites. In the first U+5.56+ site, U+5.56+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.99–2.32 Å. In the second U+5.56+ site, U+5.56+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one SrO7 hexagonal pyramid, corners with two UO7 pentagonal bipyramids, an edgeedge with one SrO7 hexagonal pyramid, and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of U–O bond distances ranging from 2.00–2.38 Å. In the third U+5.56+ site, U+5.56+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.00–2.70 Å. In the fourth U+5.56+ site, U+5.56+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one SrO7 hexagonal pyramid, an edgeedge with one SrO7 hexagonal pyramid, and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of U–O bond distances ranging from 2.00–2.37 Å. In the fifth U+5.56+ site, U+5.56+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.99–2.44 Å. In the sixth U+5.56+ site, U+5.56+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.00–2.68 Å. In the seventh U+5.56+ site, U+5.56+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.98–2.40 Å. In the eighth U+5.56+ site, U+5.56+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one SrO7 hexagonal pyramid and corners with two UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 2.00–2.33 Å. In the ninth U+5.56+ site, U+5.56+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one SrO7 hexagonal pyramid, corners with two UO7 pentagonal bipyramids, and an edgeedge with one SrO7 hexagonal pyramid. There are a spread of U–O bond distances ranging from 2.01–2.34 Å. There are thirty-four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three U+5.56+ atoms. In the third O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three U+5.56+ atoms. In the fifth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and three U+5.56+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three U+5.56+ atoms. In the eighth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the ninth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form distorted OSr3U tetrahedra that share corners with eleven OSr3U tetrahedra and edges with four OSrU3 tetrahedra. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two U+5.56+ atoms. In the eleventh O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the twelfth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the thirteenth O2- site, O2- is bonded to one Sr2+ and three U+5.56+ atoms to form distorted OSrU3 tetrahedra that share corners with seven OSrU3 tetrahedra and edges with three OSr3U tetrahedra. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three U+5.56+ atoms. In the fifteenth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the sixteenth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the seventeenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two U+5.56+ atoms. In the eighteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three U+5.56+ atoms. In the nineteenth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form distorted OSr3U tetrahedra that share corners with twelve OSr3U tetrahedra and edges with four OSrU3 tetrahedra. In the twentieth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the twenty-first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two U+5.56+ atoms. In the twenty-second O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three U+5.56+ atoms. In the twenty-third O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the twenty-fourth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the twenty-fifth O2- site, O2- is bonded to one Sr2+ and three U+5.56+ atoms to form a mixture of distorted edge and corner-sharing OSrU3 tetrahedra. In the twenty-sixth O2- site, O2- is bonded to one Sr2+ and three U+5.56+ atoms to form a mixture of distorted edge and corner-sharing OSrU3 tetrahedra. In the twenty-seventh O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form distorted OSr3U tetrahedra that share corners with eleven OSr3U tetrahedra and edges with four OSrU3 tetrahedra. In the twenty-eighth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the twenty-ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and three U+5.56+ atoms. In the thirtieth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the thirty-first O2- site, O2- is bonded to one Sr2+ and three U+5.56+ atoms to form distorted OSrU3 tetrahedra that share corners with seven OSr3U tetrahedra and edges with four OSrU3 tetrahedra. In the thirty-second O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the thirty-third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two U+5.56+ atoms. In the thirty-fourth O2- site, O2- is bonded to three Sr2+ and one U+5.56+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Universal Utility Data Exchange (UUDEX) – Security and Administration: Cybersecurity of Energy Delivery Systems (CEDS) Research and Development

A critical component of the Universal Utility Data Exchange (UUDEX) approach is the integrated security contained within its processing. This document describes how that security is designed and expected to be implemented by UUDEX Implementations (U-Implementations), including the UUDEX Server (U-Server) and UUDEX Clients (U-Clients). The UUDEX security hierarchy consists of three levels: 1. The UUDEX Instance (U-Instance) itself, which sits at the top of the hierarchy and contains the U-Server, the UUDEX Identity Authority (U-Identity Authority), and the UUDEX Administrator (U-Administrator) functions; 2. A group of one or more UUDEX Participants (U-Participants) that present “organizations” that participate in the U-Instance and contains the UUDEX Administrator Participant (U-U-Administrator Participant) function; 3. A group of one or more UUDEX Endpoints (U-Endpoints) that represent the individual UUDEX Publish Clients (U-Publish Client) responsible for supplying data to the U-Instance that is consumed by UUDEX Subscriber Clients (U-Subscriber Clients). U-Endpoints can be either autonomous devices that publish and subscribe data such as data exchange servers found in supervisory control and data acquisition and energy management systems, or they can be tied to users of applications that, for example, submit DOE OE-417 disturbance reports. U-Participants and U-Endpoints can be organized into UUDEX Groups (U-Groups). Any number of U-Participants or U-Endpoints can be members of a U-Group. A given U-Participant or U-Endpoint can be a member of multiple U-Groups, but a U-Group cannot contain other U-Groups. For example, a U-Group could be created to contain all U-Participant Transmission Operators within the purview of a Reliability Coordinator, and another U-Group could be created to contain all U-Participant Generator Operators within the purview of a Reliability Coordinator. U-Participants that are both Transmission Operators and Generator Operators would be members of both U-Groups. U-Participants, U-Endpoints, and U-Groups are used in the access control structures to provide access to individual UUDEX Subjects (U-Subjects). U-Groups are created by the U-Administrator and are managed by the U-Administrator or the designated U-Group Managers. U-Endpoints can be assigned UUDEX Roles (U-Roles) that can be used to further restrict access. U-Roles are assigned to individual U-Endpoints. For example, a U-Role of “Security Analyst” could be used to restrict which U-Endpoints can publish or subscribe security incident reports and vulnerability notifications, while a U-Role of “Transmission Planner” can be used to restrict which U-Endpoints can publish power system model updates. U-Role definitions are created by the U-Administrator, but the U-Roles are assigned to U-Endpoints by their respective UUDEX Participant Administrators (U-Participant Administrator). Because all information required to make security decisions is either included within the U-Endpoint’s X.509 digital certificate or stored in a datastore on the U-Server, all security decisions are performed and enforced within the U-Server. This reduces the complexity of the U-Client code and minimizes the chance for compromise of the integrity of the UUDEX security features.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Materials Data on U12O19 by Materials Project

U12O19 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are twelve inequivalent U+3.17+ sites. In the first U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.41 Å. In the second U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.21–2.29 Å. In the third U+3.17+ site, U+3.17+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.50 Å. In the fourth U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.23–2.29 Å. In the fifth U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.41 Å. In the sixth U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.20–2.29 Å. In the seventh U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.42 Å. In the eighth U+3.17+ site, U+3.17+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.51 Å. In the ninth U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.20–2.29 Å. In the tenth U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.44 Å. In the eleventh U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.27–2.42 Å. In the twelfth U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.21–2.30 Å. There are nineteen inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eighth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the ninth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the tenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eleventh O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twelfth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the thirteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the seventeenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y5U2O12 by Materials Project

U2Y5O12 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent U+4.50+ sites. In the first U+4.50+ site, U+4.50+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.14–2.20 Å. In the second U+4.50+ site, U+4.50+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.14–2.20 Å. In the third U+4.50+ site, U+4.50+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.14–2.18 Å. In the fourth U+4.50+ site, U+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.62 Å. In the fifth U+4.50+ site, U+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.65 Å. In the sixth U+4.50+ site, U+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.64 Å. There are fifteen inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.69 Å. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.68 Å. In the third Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.67 Å. In the fourth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.65 Å. In the fifth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.65 Å. In the sixth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.72 Å. In the seventh Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.69 Å. In the eighth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.70 Å. In the ninth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.65 Å. In the tenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.69 Å. In the eleventh Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.69 Å. In the twelfth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.71 Å. In the thirteenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.69 Å. In the fourteenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.72 Å. In the fifteenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.22–2.70 Å. There are thirty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the seventh O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the eighth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the ninth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of edge and corner-sharing OY3U tetrahedra. In the tenth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the eleventh O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form distorted OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the twelfth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the sixteenth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the seventeenth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the nineteenth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form distorted OY3U tetrahedra that share corners with six OY3U tetrahedra and edges with three OY4 tetrahedra. In the twentieth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OY3U tetrahedra. In the twenty-first O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY3U tetrahedra and edges with three OY4 tetrahedra. In the twenty-second O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the twenty-third O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the twenty-fifth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the twenty-sixth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of edge and corner-sharing OY3U tetrahedra. In the twenty-seventh O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the twenty-eighth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the twenty-ninth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form a mixture of edge and corner-sharing OY3U tetrahedra. In the thirtieth O2- site, O2- is bonded to one U+4.50+ and three Y3+ atoms to form OY3U tetrahedra that share corners with six OY4 tetrahedra and edges with three OY3U tetrahedra. In the thirty-first O2- site, O2- is bonded in a 4-coordinate geometry to one U+4.50+ and three Y3+ atoms. In the thirty-second O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the thirty-third O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the thirty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the thirty-fifth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms. In the thirty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to two U+4.50+ and two Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba7U7O24 by Materials Project

Ba7U7O24 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are seven inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–2.89 Å. In the second Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.62–3.18 Å. In the third Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.06 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.17 Å. In the fifth Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.24 Å. In the sixth Ba2+ site, Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–2.82 Å. In the seventh Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.64–3.39 Å. There are seven inequivalent U+4.86+ sites. In the first U+4.86+ site, U+4.86+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 19–26°. There are a spread of U–O bond distances ranging from 2.12–2.23 Å. In the second U+4.86+ site, U+4.86+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 21–28°. There are a spread of U–O bond distances ranging from 2.02–2.32 Å. In the third U+4.86+ site, U+4.86+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 9–27°. There are a spread of U–O bond distances ranging from 2.15–2.24 Å. In the fourth U+4.86+ site, U+4.86+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 10–27°. There are a spread of U–O bond distances ranging from 2.03–2.32 Å. In the fifth U+4.86+ site, U+4.86+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. There are a spread of U–O bond distances ranging from 1.98–2.27 Å. In the sixth U+4.86+ site, U+4.86+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 10–28°. There are a spread of U–O bond distances ranging from 2.14–2.34 Å. In the seventh U+4.86+ site, U+4.86+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 9–26°. There are a spread of U–O bond distances ranging from 1.98–2.28 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Ba2+ and one U+4.86+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+ and two U+4.86+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Ba2+ and one U+4.86+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+ and two U+4.86+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+ and two U+4.86+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+ and two U+4.86+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one U+4.86+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+ and two U+4.86+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+ and two U+4.86+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ba2+ and two U+4.86+ atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two U+4.86+ atoms. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+ and two U+4.86+ atoms. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and two U+4.86+ atoms. In the fourteenth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+ and two U+4.86+ atoms. In the fifteenth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+ and two U+4.86+ atoms. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one U+4.86+ atom. In the seventeenth O2- site, O2- is bonded in a distorted linear geometry to two Ba2+ and two U+4.86+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted linear geometry to one Ba2+ and two U+4.86+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+ and two U+4.86+ atoms. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to three Ba2+ and one U+4.86+ atom. In the twenty-first O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+ and two U+4.86+ atoms. In the twenty-second O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+ and two U+4.86+ atoms. In the twenty-third O2- site, O2- is bonded in a 1-coordinate geometry to two Ba2+ and one U+4.86+ atom. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and two U+4.86+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U4Ga20Ni11 by Materials Project

U4Ni11Ga20 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 8-coordinate geometry to four Ni and eleven Ga atoms. There are a spread of U–Ni bond distances ranging from 2.91–3.17 Å. There are a spread of U–Ga bond distances ranging from 2.94–3.45 Å. In the second U site, U is bonded in a 9-coordinate geometry to four Ni and ten Ga atoms. There are a spread of U–Ni bond distances ranging from 3.02–3.20 Å. There are a spread of U–Ga bond distances ranging from 2.94–3.16 Å. In the third U site, U is bonded in a 9-coordinate geometry to four Ni and ten Ga atoms. There are a spread of U–Ni bond distances ranging from 2.99–3.19 Å. There are a spread of U–Ga bond distances ranging from 2.95–3.17 Å. In the fourth U site, U is bonded in a 8-coordinate geometry to four Ni and eleven Ga atoms. There are a spread of U–Ni bond distances ranging from 2.93–3.21 Å. There are a spread of U–Ga bond distances ranging from 2.93–3.43 Å. There are eleven inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent U and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.73 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent U and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.43–2.62 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent U and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.50–2.73 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Ga atoms. Both Ni–Ni bond lengths are 2.54 Å. There are a spread of Ni–Ga bond distances ranging from 2.43–2.54 Å. In the fifth Ni site, Ni is bonded to four Ni and eight Ga atoms to form distorted face-sharing NiGa8Ni4 cuboctahedra. There are one shorter (2.54 Å) and one longer (2.55 Å) Ni–Ni bond lengths. There are a spread of Ni–Ga bond distances ranging from 2.45–2.86 Å. In the sixth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent U and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.51–2.59 Å. In the seventh Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.44–2.54 Å. In the eighth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent U and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.50–2.61 Å. In the ninth Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent U and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.42–2.59 Å. In the tenth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent U and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.42–2.61 Å. In the eleventh Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent U and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.44–2.61 Å. There are twenty inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to two U, five Ni, and two Ga atoms. There are one shorter (2.76 Å) and one longer (2.86 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three U, three Ni, and three Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–2.90 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to one U, four Ni, and five Ga atoms. There are three shorter (2.74 Å) and two longer (2.85 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to three U, three Ni, and four Ga atoms. There are one shorter (2.77 Å) and two longer (2.97 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 3-coordinate geometry to one U and five Ni atoms. In the sixth Ga site, Ga is bonded in a 3-coordinate geometry to three U, three Ni, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.99 Å. In the seventh Ga site, Ga is bonded in a 12-coordinate geometry to three U, four Ni, and five Ga atoms. There are one shorter (2.92 Å) and one longer (2.95 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 3-coordinate geometry to three U, three Ni, and four Ga atoms. The Ga–Ga bond length is 2.73 Å. In the ninth Ga site, Ga is bonded in a 4-coordinate geometry to one U, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.73–2.84 Å. In the tenth Ga site, Ga is bonded in a 1-coordinate geometry to two U, five Ni, and two Ga atoms. There are one shorter (2.79 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the eleventh Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent U and four Ni atoms. In the twelfth Ga site, Ga is bonded in a 3-coordinate geometry to one U, four Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.94 Å. In the thirteenth Ga site, Ga is bonded in a 12-coordinate geometry to three U, four Ni, and five Ga atoms. Both Ga–Ga bond lengths are 3.03 Å. In the fourteenth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent U, four Ni, and one Ga atom. In the fifteenth Ga site, Ga is bonded in a 11-coordinate geometry to one U, four Ni, and six Ga atoms. In the sixteenth Ga site, Ga is bonded in a 12-coordinate geometry to three U, four Ni, and five Ga atoms. In the seventeenth Ga site, Ga is bonded in a 5-coordinate geometry to one U and five Ni atoms. In the eighteenth Ga site, Ga is bonded in a 12-coordinate geometry to three U, four Ni, and five Ga atoms. In the nineteenth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent U, four Ni, and one Ga atom. In the twentieth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent U, four Ni, and one Ga atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3U6O28 by Materials Project

Sr3U6O28 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.72 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.98 Å. In the third Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.65–2.69 Å. There are six inequivalent U sites. In the first U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.88–2.23 Å. In the second U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.88–2.23 Å. In the third U site, U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.88–2.67 Å. In the fourth U site, U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.88–2.67 Å. In the fifth U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.88–2.23 Å. In the sixth U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.88–2.24 Å. There are twenty-eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Sr and one U atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two Sr and one U atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Sr and one U atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two Sr and one U atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Sr and one U atom. In the seventh O site, O is bonded in a trigonal planar geometry to three U atoms. In the eighth O site, O is bonded in a trigonal planar geometry to three U atoms. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to two U atoms. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to two U atoms. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to two U atoms. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to two U atoms. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to three U atoms. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to three U atoms. In the fifteenth O site, O is bonded in a trigonal planar geometry to three U atoms. In the sixteenth O site, O is bonded in a trigonal planar geometry to three U atoms. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.27 Å) and one longer (1.32 Å) O–O bond length. In the eighteenth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one O atom. The O–O bond length is 1.32 Å. In the nineteenth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one O atom. In the twentieth O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one O atom. The O–O bond length is 1.27 Å. In the twenty-first O site, O is bonded in a single-bond geometry to one O atom. In the twenty-second O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the twenty-third O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the twenty-fourth O site, O is bonded in a distorted single-bond geometry to two Sr and one U atom. In the twenty-fifth O site, O is bonded in a distorted single-bond geometry to one Sr and one U atom. In the twenty-sixth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one U atom. In the twenty-seventh O site, O is bonded in a 2-coordinate geometry to one Sr and one U atom. In the twenty-eighth O site, O is bonded in a distorted single-bond geometry to two Sr and one U atom.

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