Materials Data on CaCuAs by Materials Project
CaCuAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent As3- atoms to form a mixture of corner, edge, and face-sharing CaAs6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ca–As bond lengths are 3.13 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.42 Å. As3- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Cu1+ atoms.
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