Materials Data on Ca3AsCl3 by Materials Project
Ca3AsCl3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent As3- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing CaAs2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ca–As bond lengths are 2.89 Å. All Ca–Cl bond lengths are 2.89 Å. As3- is bonded to six equivalent Ca2+ atoms to form corner-sharing AsCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent Ca2+ atoms.
36 MATERIALS SCIENCE↗