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Materials Data on UCu5Sn by Materials Project

UCu5Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded in a distorted hexagonal planar geometry to eighteen Cu and two Sn atoms. There are six shorter (2.87 Å) and twelve longer (3.25 Å) U–Cu bond lengths. Both U–Sn bond lengths are 3.36 Å. In the second U site, U is bonded in a distorted hexagonal planar geometry to eighteen Cu and two equivalent Sn atoms. There are six shorter (2.87 Å) and twelve longer (3.25 Å) U–Cu bond lengths. Both U–Sn bond lengths are 3.36 Å. In the third U site, U is bonded in a 6-coordinate geometry to twelve Cu and six equivalent Sn atoms. There are six shorter (3.01 Å) and six longer (3.32 Å) U–Cu bond lengths. All U–Sn bond lengths are 3.35 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent U and nine Cu atoms to form distorted CuU3Cu9 cuboctahedra that share corners with fifteen CuU3Cu9 cuboctahedra, edges with six equivalent CuU3Cu9 cuboctahedra, and faces with twenty-one CuU3Cu7Sn2 cuboctahedra. There are six shorter (2.53 Å) and three longer (2.87 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to three U, seven Cu, and two equivalent Sn atoms to form CuU3Cu7Sn2 cuboctahedra that share corners with seventeen CuU3Cu9 cuboctahedra, edges with six equivalent CuU3Cu7Sn2 cuboctahedra, and faces with fifteen CuU3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.48–2.55 Å. Both Cu–Sn bond lengths are 2.80 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to three equivalent U, three equivalent Cu, and four equivalent Sn atoms. There are one shorter (2.60 Å) and three longer (2.99 Å) Cu–Sn bond lengths. In the fourth Cu site, Cu is bonded to three equivalent U and nine Cu atoms to form a mixture of distorted corner, edge, and face-sharing CuU3Cu9 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four U and ten Cu atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to four U and ten Cu atoms. All Sn–U bond lengths are 3.35 Å. There are a spread of Sn–Cu bond distances ranging from 2.60–2.99 Å.

36 MATERIALS SCIENCE↗

Materials Data on U3Cu3Sn4 by Materials Project

U3Cu3Sn4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four equivalent Cu and eight equivalent Sn atoms. All U–Cu bond lengths are 2.92 Å. There are four shorter (3.30 Å) and four longer (3.31 Å) U–Sn bond lengths. Cu is bonded in a 8-coordinate geometry to four equivalent U and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.67 Å. Sn is bonded in a 9-coordinate geometry to six equivalent U and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on U(CuSn)2 by Materials Project

UCu2Sn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.35 Å) and four longer (3.38 Å) U–Cu bond lengths. There are four shorter (3.32 Å) and four longer (3.50 Å) U–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent U and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.59 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent U and five Sn atoms. There are one shorter (2.47 Å) and four longer (2.61 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent U and five Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on UCuSn by Materials Project

UCuSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to two equivalent U, six equivalent Cu, and six equivalent Sn atoms. Both U–U bond lengths are 2.92 Å. All U–Cu bond lengths are 3.19 Å. All U–Sn bond lengths are 3.19 Å. Cu is bonded in a distorted q6 geometry to six equivalent U and five equivalent Sn atoms. There are three shorter (2.84 Å) and two longer (2.92 Å) Cu–Sn bond lengths. Sn is bonded in a distorted q6 geometry to six equivalent U and five equivalent Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on UCu2Sn by Materials Project

UCu2Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are four shorter (2.83 Å) and two longer (2.86 Å) U–Cu bond lengths. There are two shorter (3.34 Å) and four longer (3.37 Å) U–Sn bond lengths. Cu is bonded in a 8-coordinate geometry to three equivalent U, one Cu, and four equivalent Sn atoms. The Cu–Cu bond length is 2.33 Å. There are a spread of Cu–Sn bond distances ranging from 2.80–2.96 Å. Sn is bonded in a 2-coordinate geometry to six equivalent U and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗