10.17188/1203697
None Available
Materials Data on Ca3PCl3 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
Ca3PCl3
Ca-Cl-P
The Materials Project
2020
en
Ca3Cl3P crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent P3- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing CaP2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ca–P bond lengths are 2.86 Å. All Ca–Cl bond lengths are 2.86 Å. P3- is bonded to six equivalent Ca2+ atoms to form corner-sharing PCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent Ca2+ atoms.