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Title: Materials Data on Cu3P8(S2Cl)3 by Materials Project

Abstract

(CuCl)3(P4S3)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of eight tetraphosphorus trisulfide molecules and six CuCl ribbons oriented in the (1, 0, 0) direction. In each CuCl ribbon, Cu+1.67+ is bonded in a water-like geometry to two equivalent Cl1- atoms. There are one shorter (2.32 Å) and one longer (2.33 Å) Cu–Cl bond lengths. Cl1- is bonded in a bent 120 degrees geometry to two equivalent Cu+1.67+ atoms.

Publication Date:
Other Number(s):
mp-559558
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; Cu3P8(S2Cl)3; Cl-Cu-P-S
OSTI Identifier:
1270914
DOI:
https://doi.org/10.17188/1270914

Citation Formats

The Materials Project. Materials Data on Cu3P8(S2Cl)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270914.
The Materials Project. Materials Data on Cu3P8(S2Cl)3 by Materials Project. United States. doi:https://doi.org/10.17188/1270914
The Materials Project. 2020. "Materials Data on Cu3P8(S2Cl)3 by Materials Project". United States. doi:https://doi.org/10.17188/1270914. https://www.osti.gov/servlets/purl/1270914. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270914,
title = {Materials Data on Cu3P8(S2Cl)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CuCl)3(P4S3)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of eight tetraphosphorus trisulfide molecules and six CuCl ribbons oriented in the (1, 0, 0) direction. In each CuCl ribbon, Cu+1.67+ is bonded in a water-like geometry to two equivalent Cl1- atoms. There are one shorter (2.32 Å) and one longer (2.33 Å) Cu–Cl bond lengths. Cl1- is bonded in a bent 120 degrees geometry to two equivalent Cu+1.67+ atoms.},
doi = {10.17188/1270914},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}