Materials Data on Ca3AsBr3 by Materials Project
Ca3AsBr3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent As3- and four equivalent Br1- atoms to form a mixture of edge and corner-sharing CaAs2Br4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ca–As bond lengths are 2.98 Å. All Ca–Br bond lengths are 2.98 Å. As3- is bonded to six equivalent Ca2+ atoms to form corner-sharing AsCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded in a square co-planar geometry to four equivalent Ca2+ atoms.
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