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Title: Materials Data on U3Cu2S7 by Materials Project

Abstract

U3Cu2S7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.64–3.09 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four S2- atoms. All Cu–S bond lengths are 2.26 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.20 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent U4+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent U4+ and one Cu1+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent U4+ and one Cu1+ atom.

Publication Date:
Other Number(s):
mp-619067
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; U3Cu2S7; Cu-S-U
OSTI Identifier:
1277966
DOI:
10.17188/1277966

Citation Formats

The Materials Project. Materials Data on U3Cu2S7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277966.
The Materials Project. Materials Data on U3Cu2S7 by Materials Project. United States. doi:10.17188/1277966.
The Materials Project. 2020. "Materials Data on U3Cu2S7 by Materials Project". United States. doi:10.17188/1277966. https://www.osti.gov/servlets/purl/1277966. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1277966,
title = {Materials Data on U3Cu2S7 by Materials Project},
author = {The Materials Project},
abstractNote = {U3Cu2S7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.64–3.09 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four S2- atoms. All Cu–S bond lengths are 2.26 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.20 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent U4+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent U4+ and one Cu1+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent U4+ and one Cu1+ atom.},
doi = {10.17188/1277966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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