skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CsCu2Cl3 by Materials Project

Abstract

CsCu2Cl3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.53–3.70 Å. Cu1+ is bonded to four Cl1- atoms to form a mixture of edge and corner-sharing CuCl4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.49 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four equivalent Cu1+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-23065
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; CsCu2Cl3; Cl-Cs-Cu
OSTI Identifier:
1199209
DOI:
10.17188/1199209

Citation Formats

The Materials Project. Materials Data on CsCu2Cl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199209.
The Materials Project. Materials Data on CsCu2Cl3 by Materials Project. United States. doi:10.17188/1199209.
The Materials Project. 2020. "Materials Data on CsCu2Cl3 by Materials Project". United States. doi:10.17188/1199209. https://www.osti.gov/servlets/purl/1199209. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199209,
title = {Materials Data on CsCu2Cl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsCu2Cl3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.53–3.70 Å. Cu1+ is bonded to four Cl1- atoms to form a mixture of edge and corner-sharing CuCl4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.49 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to two equivalent Cs1+ and four equivalent Cu1+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Cu1+ atoms.},
doi = {10.17188/1199209},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: