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DOE OSTI2020

Materials Data on CdSn3 by Materials Project

CdSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cd is bonded to twelve equivalent Sn atoms to form CdSn12 cuboctahedra that share corners with six equivalent CdSn12 cuboctahedra, corners with twelve equivalent SnCd4Sn8 cuboctahedra, edges with eighteen equivalent SnCd4Sn8 cuboctahedra, faces with eight equivalent CdSn12 cuboctahedra, and faces with twelve equivalent SnCd4Sn8 cuboctahedra. There are six shorter (3.35 Å) and six longer (3.40 Å) Cd–Sn bond lengths. Sn is bonded to four equivalent Cd and eight equivalent Sn atoms to form distorted SnCd4Sn8 cuboctahedra that share corners with four equivalent CdSn12 cuboctahedra, corners with fourteen equivalent SnCd4Sn8 cuboctahedra, edges with six equivalent CdSn12 cuboctahedra, edges with twelve equivalent SnCd4Sn8 cuboctahedra, faces with four equivalent CdSn12 cuboctahedra, and faces with sixteen equivalent SnCd4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.36–3.41 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CdSn by Materials Project

Cd(Sn) crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Cd is bonded to six equivalent Cd and six equivalent Sn atoms to form CdCd6Sn6 cuboctahedra that share corners with eighteen equivalent CdCd6Sn6 cuboctahedra, edges with six equivalent CdCd6Sn6 cuboctahedra, edges with twelve equivalent SnCd6Sn6 cuboctahedra, faces with eight equivalent CdCd6Sn6 cuboctahedra, and faces with twelve equivalent SnCd6Sn6 cuboctahedra. There are four shorter (3.34 Å) and two longer (3.35 Å) Cd–Cd bond lengths. There are two shorter (3.32 Å) and four longer (3.33 Å) Cd–Sn bond lengths. Sn is bonded to six equivalent Cd and six equivalent Sn atoms to form SnCd6Sn6 cuboctahedra that share corners with eighteen equivalent SnCd6Sn6 cuboctahedra, edges with six equivalent SnCd6Sn6 cuboctahedra, edges with twelve equivalent CdCd6Sn6 cuboctahedra, faces with eight equivalent SnCd6Sn6 cuboctahedra, and faces with twelve equivalent CdCd6Sn6 cuboctahedra. There are four shorter (3.34 Å) and two longer (3.35 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗