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DOE OSTI2020

Materials Data on UO5 by Materials Project

UO5 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two UO5 ribbons oriented in the (0, 0, 1) direction. U is bonded to six O atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.85 Å) and two longer (2.15 Å) U–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a linear geometry to two equivalent U atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K6U4O15 by Materials Project

K6U4O15 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with six KO12 cuboctahedra, faces with four KO12 cuboctahedra, faces with two equivalent KO6 octahedra, and faces with six UO6 octahedra. There are a spread of K–O bond distances ranging from 3.12–3.21 Å. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with five KO12 cuboctahedra, faces with two equivalent KO12 cuboctahedra, faces with two equivalent KO6 octahedra, faces with four UO6 octahedra, and faces with two equivalent UO5 square pyramids. There are a spread of K–O bond distances ranging from 2.99–3.32 Å. In the third K1+ site, K1+ is bonded to six O2- atoms to form KO6 octahedra that share corners with four UO6 octahedra, corners with two equivalent UO5 square pyramids, and faces with four KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are a spread of K–O bond distances ranging from 2.52–2.57 Å. In the fourth K1+ site, K1+ is bonded in a distorted q6 geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 3.02–3.25 Å. In the fifth K1+ site, K1+ is bonded in a distorted q6 geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 3.02–3.16 Å. In the sixth K1+ site, K1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.89–3.24 Å. In the seventh K1+ site, K1+ is bonded in a distorted q6 geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 3.02–3.16 Å. In the eighth K1+ site, K1+ is bonded in a distorted q6 geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.99–3.16 Å. There are five inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to five O2- atoms to form UO5 square pyramids that share a cornercorner with one KO6 octahedra, corners with two UO6 octahedra, a cornercorner with one UO5 square pyramid, and a faceface with one KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of U–O bond distances ranging from 1.87–2.16 Å. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent KO6 octahedra, corners with four UO6 octahedra, and faces with six KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of U–O bond distances ranging from 1.90–2.24 Å. In the third U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent KO6 octahedra, corners with two equivalent UO6 octahedra, corners with two equivalent UO5 square pyramids, and faces with four KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are a spread of U–O bond distances ranging from 1.90–2.32 Å. In the fourth U6+ site, U6+ is bonded to five O2- atoms to form UO5 square pyramids that share corners with two equivalent UO6 octahedra and a cornercorner with one UO5 square pyramid. The corner-sharing octahedral tilt angles are 6°. There are a spread of U–O bond distances ranging from 1.87–2.17 Å. In the fifth U6+ site, U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. There are two shorter (1.87 Å) and four longer (2.27 Å) U–O bond lengths. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to five K1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two U6+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two equivalent U6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to five K1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one U6+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two U6+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one U6+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to five K1+ and one U6+ atom. In the ninth O2- site, O2- is bonded in a distorted octahedral geometry to four K1+ and two equivalent U6+ atoms. In the tenth O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two U6+ atoms. In the eleventh O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two U6+ atoms. In the twelfth O2- site, O2- is bonded in a single-bond geometry to four K1+ and one U6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two equivalent U6+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted octahedral geometry to four K1+ and two equivalent U6+ atoms.

36 MATERIALS SCIENCE↗
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 Cs2U2O5 by Materials Project

Cs2U2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to eight equivalent O2- atoms to form distorted CsO8 hexagonal bipyramids that share corners with eight equivalent CsO12 cuboctahedra, edges with four equivalent CsO8 hexagonal bipyramids, edges with eight equivalent UO5 square pyramids, and faces with two equivalent CsO12 cuboctahedra. All Cs–O bond lengths are 3.23 Å. In the second Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share corners with four equivalent CsO12 cuboctahedra, corners with eight equivalent CsO8 hexagonal bipyramids, faces with four equivalent CsO12 cuboctahedra, faces with two equivalent CsO8 hexagonal bipyramids, and faces with eight equivalent UO5 square pyramids. There are four shorter (3.10 Å) and eight longer (3.33 Å) Cs–O bond lengths. U4+ is bonded to five O2- atoms to form UO5 square pyramids that share corners with five equivalent UO5 square pyramids, edges with four equivalent CsO8 hexagonal bipyramids, and faces with four equivalent CsO12 cuboctahedra. All U–O bond lengths are 2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+ and two equivalent U4+ atoms. In the second O2- site, O2- is bonded to four equivalent Cs1+ and two equivalent U4+ atoms to form a mixture of distorted corner and edge-sharing OCs4U2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UO3 by Materials Project

UO3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are five inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share a cornercorner with one UO8 hexagonal bipyramid and corners with five UO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of U–O bond distances ranging from 2.06–2.10 Å. In the second U6+ site, U6+ is bonded to eight O2- atoms to form UO8 hexagonal bipyramids that share corners with two equivalent UO8 hexagonal bipyramids, a cornercorner with one UO6 octahedra, and edges with two equivalent UO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of U–O bond distances ranging from 2.10–2.39 Å. In the third U6+ site, U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.94–2.72 Å. In the fourth U6+ site, U6+ is bonded to five O2- atoms to form distorted UO5 trigonal bipyramids that share a cornercorner with one UO6 octahedra and corners with four equivalent UO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 2°. There are a spread of U–O bond distances ranging from 2.06–2.21 Å. In the fifth U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with five UO6 octahedra and a cornercorner with one UO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of U–O bond distances ranging from 2.06–2.11 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two U6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the eighth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the tenth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the eleventh O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one O2- atom. The O–O bond length is 1.48 Å. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent U6+ and one O2- atom. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2U2O5 by Materials Project

K2U2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.91 Å. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with four equivalent KO12 cuboctahedra, faces with four equivalent KO12 cuboctahedra, and faces with eight equivalent UO5 square pyramids. There are four shorter (3.08 Å) and eight longer (3.23 Å) K–O bond lengths. U4+ is bonded to five O2- atoms to form UO5 square pyramids that share corners with five equivalent UO5 square pyramids and faces with four equivalent KO12 cuboctahedra. There are one shorter (2.16 Å) and four longer (2.19 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent U4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent U4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2U2O5 by Materials Project

Rb2U2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All Rb–O bond lengths are 3.08 Å. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, faces with four equivalent RbO12 cuboctahedra, and faces with eight equivalent UO5 square pyramids. There are four shorter (3.09 Å) and eight longer (3.22 Å) Rb–O bond lengths. U4+ is bonded to five O2- atoms to form UO5 square pyramids that share corners with five equivalent UO5 square pyramids and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.17 Å) and four longer (2.19 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent U4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent U4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on US2O13 by Materials Project

UO5(SO4)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of eight sulfuric acid molecules and four UO5 ribbons oriented in the (1, 0, 0) direction. In each UO5 ribbon, U is bonded in a 4-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.80–2.85 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a linear geometry to two equivalent U atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UC4SNClO8 by Materials Project

UO2SO4CC2NCClO2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two ch3nc molecules; two chloromethane molecules; two hydrogen peroxide molecules; two methane molecules; and one UO2SO4 ribbon oriented in the (0, 1, 0) direction. In the UO2SO4 ribbon, U6+ is bonded to five O2- atoms to form distorted UO5 square pyramids that share corners with three equivalent SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.79–2.29 Å. S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent UO5 square pyramids. There are a spread of S–O bond distances ranging from 1.43–1.52 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one S2- atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S2- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3O5 by Materials Project

U3O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent U+3.33+ sites. In the first U+3.33+ site, U+3.33+ 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 2.24–2.28 Å. In the second U+3.33+ site, U+3.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.29–2.43 Å. In the third U+3.33+ site, U+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UCO6 by Materials Project

UO4CO2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight carbon dioxide molecules and four UO4 clusters. In each UO4 cluster, U is bonded to five O atoms to form distorted edge-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.84–2.15 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent U atoms. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UCO6 by Materials Project

UO4CO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight carbon dioxide molecules and four UO4 ribbons oriented in the (0, 1, 0) direction. In each UO4 ribbon, U is bonded to five O atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.27 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a distorted linear geometry to two equivalent U atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2U2O5 by Materials Project

Li2U2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Li–O bond lengths are 2.51 Å. In the second Li1+ site, Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.90 Å. U4+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are four shorter (2.13 Å) and one longer (2.16 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+ and two equivalent U4+ atoms to form a mixture of distorted corner and edge-sharing OLi2U2 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to four equivalent Li1+ and two equivalent U4+ atoms.

36 MATERIALS SCIENCE↗