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

Title: Materials Data on Cs6U2(Cu4S5)3 by Materials Project

Abstract

Cs6U2(Cu4S5)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are a spread of Cs–S bond distances ranging from 3.42–3.72 Å. U6+ is bonded in an octahedral geometry to six equivalent S2- atoms. All U–S bond lengths are 2.61 Å. Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.24 Å) and two longer (2.25 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, one U6+, and two equivalent Cu1+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1199290
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs6U2(Cu4S5)3; Cs-Cu-S-U
OSTI Identifier:
1734329
DOI:
https://doi.org/10.17188/1734329

Citation Formats

The Materials Project. Materials Data on Cs6U2(Cu4S5)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1734329.
The Materials Project. Materials Data on Cs6U2(Cu4S5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1734329
The Materials Project. 2019. "Materials Data on Cs6U2(Cu4S5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1734329. https://www.osti.gov/servlets/purl/1734329. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1734329,
title = {Materials Data on Cs6U2(Cu4S5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs6U2(Cu4S5)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are a spread of Cs–S bond distances ranging from 3.42–3.72 Å. U6+ is bonded in an octahedral geometry to six equivalent S2- atoms. All U–S bond lengths are 2.61 Å. Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.24 Å) and two longer (2.25 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, one U6+, and two equivalent Cu1+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms.},
doi = {10.17188/1734329},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}