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Materials Data on Sn3Sb by Materials Project

Sn3Sb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sn is bonded to eight equivalent Sn and four equivalent Sb atoms to form SnSn8Sb4 cuboctahedra that share corners with twelve equivalent SnSn8Sb4 cuboctahedra, edges with eight equivalent SbSn12 cuboctahedra, edges with sixteen equivalent SnSn8Sb4 cuboctahedra, faces with four equivalent SbSn12 cuboctahedra, and faces with fourteen equivalent SnSn8Sb4 cuboctahedra. All Sn–Sn bond lengths are 3.41 Å. All Sn–Sb bond lengths are 3.41 Å. Sb is bonded to twelve equivalent Sn atoms to form SbSn12 cuboctahedra that share corners with twelve equivalent SbSn12 cuboctahedra, edges with twenty-four equivalent SnSn8Sb4 cuboctahedra, faces with six equivalent SbSn12 cuboctahedra, and faces with twelve equivalent SnSn8Sb4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Sn3Sb by Materials Project

Sn3Sb is beta Sn-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six Sn atoms to form distorted corner-sharing SnSn6 pentagonal pyramids. There are four shorter (3.10 Å) and two longer (3.19 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 6-coordinate geometry to four Sn and two equivalent Sb atoms. Both Sn–Sn bond lengths are 3.19 Å. Both Sn–Sb bond lengths are 3.12 Å. Sb is bonded in a 6-coordinate geometry to four equivalent Sn and two equivalent Sb atoms. Both Sb–Sb bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗