Materials Data on CaCuSb by Materials Project
CaCuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing CaSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ca–Sb bond lengths are 3.29 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.58 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Cu1+ atoms.
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