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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↗

Materials Data on Cd4P6SN12 by Materials Project

Cd4P6N12S crystallizes in the cubic I-43m space group. The structure is three-dimensional. Cd2+ is bonded to three equivalent N3- and one S2- atom to form distorted CdSN3 tetrahedra that share corners with three equivalent CdSN3 tetrahedra and corners with six equivalent PN4 tetrahedra. All Cd–N bond lengths are 2.26 Å. The Cd–S bond length is 2.49 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent CdSN3 tetrahedra and corners with four equivalent PN4 tetrahedra. All P–N bond lengths are 1.64 Å. N3- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent P5+ atoms. S2- is bonded in a tetrahedral geometry to four equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗