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DOE OSTI2020

Materials Data on USn3 by Materials Project

USn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to twelve equivalent Sn atoms to form USn12 cuboctahedra that share corners with twelve equivalent USn12 cuboctahedra, edges with twenty-four equivalent SnU4Sn8 cuboctahedra, faces with six equivalent USn12 cuboctahedra, and faces with twelve equivalent SnU4Sn8 cuboctahedra. All U–Sn bond lengths are 3.28 Å. Sn is bonded to four equivalent U and eight equivalent Sn atoms to form distorted SnU4Sn8 cuboctahedra that share corners with twelve equivalent SnU4Sn8 cuboctahedra, edges with eight equivalent USn12 cuboctahedra, edges with sixteen equivalent SnU4Sn8 cuboctahedra, faces with four equivalent USn12 cuboctahedra, and faces with fourteen equivalent SnU4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.28 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on USn by Materials Project

USn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U is bonded to six equivalent U and six equivalent Sn atoms to form UU6Sn6 cuboctahedra that share corners with eighteen equivalent UU6Sn6 cuboctahedra, edges with six equivalent UU6Sn6 cuboctahedra, edges with twelve equivalent SnU6Sn6 cuboctahedra, faces with eight equivalent UU6Sn6 cuboctahedra, and faces with twelve equivalent SnU6Sn6 cuboctahedra. All U–U bond lengths are 3.11 Å. All U–Sn bond lengths are 3.28 Å. Sn is bonded to six equivalent U and six equivalent Sn atoms to form SnU6Sn6 cuboctahedra that share corners with eighteen equivalent SnU6Sn6 cuboctahedra, edges with six equivalent SnU6Sn6 cuboctahedra, edges with twelve equivalent UU6Sn6 cuboctahedra, faces with eight equivalent SnU6Sn6 cuboctahedra, and faces with twelve equivalent UU6Sn6 cuboctahedra. All Sn–Sn bond lengths are 3.11 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on U3Sn7 by Materials Project

U3Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of U–Sn bond distances ranging from 3.20–3.40 Å. In the second U site, U is bonded to twelve Sn atoms to form a mixture of corner and face-sharing USn12 cuboctahedra. There are a spread of U–Sn bond distances ranging from 3.24–3.34 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four U atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to six equivalent U and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the third Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four U atoms. In the fourth Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent U atoms.

36 MATERIALS SCIENCE↗