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Materials Data on CdIn3 by Materials Project

CdIn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cd is bonded to twelve equivalent In atoms to form CdIn12 cuboctahedra that share corners with six equivalent CdIn12 cuboctahedra, corners with twelve equivalent InCd4In8 cuboctahedra, edges with eighteen equivalent InCd4In8 cuboctahedra, faces with eight equivalent CdIn12 cuboctahedra, and faces with twelve equivalent InCd4In8 cuboctahedra. There are six shorter (3.25 Å) and six longer (3.49 Å) Cd–In bond lengths. In is bonded to four equivalent Cd and eight equivalent In atoms to form distorted InCd4In8 cuboctahedra that share corners with four equivalent CdIn12 cuboctahedra, corners with fourteen equivalent InCd4In8 cuboctahedra, edges with six equivalent CdIn12 cuboctahedra, edges with twelve equivalent InCd4In8 cuboctahedra, faces with four equivalent CdIn12 cuboctahedra, and faces with sixteen equivalent InCd4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.22–3.51 Å.

36 MATERIALS SCIENCE↗

Materials Data on CdIn3 by Materials Project

CdIn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Cd–In bond lengths are 3.27 Å. There are two inequivalent In sites. In the first In site, In is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent In atoms. All In–In bond lengths are 3.27 Å. In the second In site, In is bonded in a body-centered cubic geometry to eight equivalent In atoms.

36 MATERIALS SCIENCE↗