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Title: Materials Data on U6Cu2S13 by Materials Project

Abstract

U6Cu2S13 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.68–2.89 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.69–2.91 Å. In the third U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.75–2.88 Å. Cu1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.18–2.24 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in an octahedral geometry to six U4+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and one Cu1+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and onemore » Cu1+ atom. In the fifth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and one Cu1+ atom. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four U4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-28356
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; U6Cu2S13; Cu-S-U
OSTI Identifier:
1202474
DOI:
https://doi.org/10.17188/1202474

Citation Formats

The Materials Project. Materials Data on U6Cu2S13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202474.
The Materials Project. Materials Data on U6Cu2S13 by Materials Project. United States. doi:https://doi.org/10.17188/1202474
The Materials Project. 2020. "Materials Data on U6Cu2S13 by Materials Project". United States. doi:https://doi.org/10.17188/1202474. https://www.osti.gov/servlets/purl/1202474. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1202474,
title = {Materials Data on U6Cu2S13 by Materials Project},
author = {The Materials Project},
abstractNote = {U6Cu2S13 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.68–2.89 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.69–2.91 Å. In the third U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.75–2.88 Å. Cu1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.18–2.24 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in an octahedral geometry to six U4+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and one Cu1+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and one Cu1+ atom. In the fifth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and one Cu1+ atom. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four U4+ atoms.},
doi = {10.17188/1202474},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}