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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UPt2 by Materials Project

UPt2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to eleven Pt2- atoms. There are a spread of U–Pt bond distances ranging from 2.81–3.54 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent U4+ and six Pt2- atoms to form a mixture of distorted edge, face, and corner-sharing PtU6Pt6 cuboctahedra. There are two shorter (2.83 Å) and four longer (2.85 Å) Pt–Pt bond lengths. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five equivalent U4+ and four equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UPt3 by Materials Project

UPt3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U6+ is bonded to twelve equivalent Pt2- atoms to form a mixture of corner and face-sharing UPt12 cuboctahedra. There are six shorter (2.89 Å) and six longer (3.01 Å) U–Pt bond lengths. Pt2- is bonded in a distorted see-saw-like geometry to four equivalent U6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UPt by Materials Project

UPt crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of U–Pt bond distances ranging from 2.83–3.10 Å. In the second U site, U is bonded in a 5-coordinate geometry to seven Pt atoms. There are a spread of U–Pt bond distances ranging from 2.87–3.26 Å. In the third U site, U is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of U–Pt bond distances ranging from 2.83–3.08 Å. In the fourth U site, U is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of U–Pt bond distances ranging from 2.88–3.23 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 7-coordinate geometry to seven U and one Pt atom. The Pt–Pt bond length is 3.16 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to seven U and three Pt atoms. There are one shorter (3.04 Å) and one longer (3.05 Å) Pt–Pt bond lengths. In the third Pt site, Pt is bonded in a 7-coordinate geometry to seven U and one Pt atom. In the fourth Pt site, Pt is bonded in a 7-coordinate geometry to seven U and one Pt atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UPt by Materials Project

UPt crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to seven equivalent Pt atoms. There are a spread of U–Pt bond distances ranging from 2.79–3.12 Å. Pt is bonded in a 5-coordinate geometry to seven equivalent U atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UPt5 by Materials Project

UPt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. U6+ is bonded in a 12-coordinate geometry to sixteen Pt+1.20- atoms. There are twelve shorter (3.11 Å) and four longer (3.25 Å) U–Pt bond lengths. There are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to four equivalent U6+ and twelve equivalent Pt+1.20- atoms to form distorted PtU4Pt12 tetrahedra that share corners with twelve equivalent PtU3Pt9 cuboctahedra, faces with twenty-eight equivalent PtU3Pt9 cuboctahedra, and faces with twelve equivalent PtU4Pt12 tetrahedra. All Pt–Pt bond lengths are 3.11 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to three equivalent U6+ and nine Pt+1.20- atoms to form distorted PtU3Pt9 cuboctahedra that share corners with eighteen equivalent PtU3Pt9 cuboctahedra, corners with three equivalent PtU4Pt12 tetrahedra, edges with six equivalent PtU3Pt9 cuboctahedra, faces with eighteen equivalent PtU3Pt9 cuboctahedra, and faces with seven equivalent PtU4Pt12 tetrahedra. There are three shorter (2.64 Å) and three longer (2.66 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3Pt by Materials Project

U3Pt is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to four equivalent U and four equivalent Pt atoms to form a mixture of distorted face, edge, and corner-sharing UU4Pt4 tetrahedra. All U–U bond lengths are 2.94 Å. All U–Pt bond lengths are 2.94 Å. In the second U site, U is bonded in a 8-coordinate geometry to eight equivalent U and six equivalent Pt atoms. All U–Pt bond lengths are 3.39 Å. Pt is bonded in a distorted body-centered cubic geometry to fourteen U atoms.

36 MATERIALS SCIENCE↗