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Title: Materials Data on Ca3PCl3 by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-29342
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ca3PCl3; Ca-Cl-P
OSTI Identifier:
1203697
DOI:
https://doi.org/10.17188/1203697

Citation Formats

The Materials Project. Materials Data on Ca3PCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203697.
The Materials Project. Materials Data on Ca3PCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1203697
The Materials Project. 2020. "Materials Data on Ca3PCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1203697. https://www.osti.gov/servlets/purl/1203697. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203697,
title = {Materials Data on Ca3PCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1203697},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}