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Materials Data on Tm3Sn by Materials Project

Tm3Sn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent Sn atoms to form distorted TmTm8Sn4 cuboctahedra that share corners with four equivalent SnTm12 cuboctahedra, corners with fourteen equivalent TmTm8Sn4 cuboctahedra, edges with six equivalent SnTm12 cuboctahedra, edges with twelve equivalent TmTm8Sn4 cuboctahedra, faces with four equivalent SnTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Sn4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.32–3.44 Å. There are two shorter (3.35 Å) and two longer (3.38 Å) Tm–Sn bond lengths. Sn is bonded to twelve equivalent Tm atoms to form SnTm12 cuboctahedra that share corners with six equivalent SnTm12 cuboctahedra, corners with twelve equivalent TmTm8Sn4 cuboctahedra, edges with eighteen equivalent TmTm8Sn4 cuboctahedra, faces with eight equivalent SnTm12 cuboctahedra, and faces with twelve equivalent TmTm8Sn4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Tm3Sn by Materials Project

Tm3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to eight Tm and four equivalent Sn atoms to form distorted TmTm8Sn4 cuboctahedra that share corners with twelve equivalent TmTm8Sn4 cuboctahedra, edges with eight equivalent TmTm8Sn4 cuboctahedra, edges with eight equivalent SnTm12 cuboctahedra, faces with four equivalent SnTm12 cuboctahedra, and faces with ten equivalent TmTm8Sn4 cuboctahedra. There are four shorter (3.25 Å) and four longer (3.46 Å) Tm–Tm bond lengths. All Tm–Sn bond lengths are 3.46 Å. In the second Tm site, Tm is bonded in a square co-planar geometry to eight equivalent Tm and four equivalent Sn atoms. All Tm–Sn bond lengths are 3.25 Å. Sn is bonded to twelve Tm atoms to form SnTm12 cuboctahedra that share corners with four equivalent SnTm12 cuboctahedra, edges with eight equivalent SnTm12 cuboctahedra, edges with sixteen equivalent TmTm8Sn4 cuboctahedra, faces with four equivalent SnTm12 cuboctahedra, and faces with eight equivalent TmTm8Sn4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Tm3SnC by Materials Project

Tm3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tm3Sn framework. In the Tm3Sn framework, Tm is bonded in a linear geometry to two equivalent Sn atoms. Both Tm–Sn bond lengths are 2.76 Å. Sn is bonded to six equivalent Tm atoms to form corner-sharing SnTm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗