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Title: Materials Data on U4CuTe12 by Materials Project

Abstract

U4CuTe12 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.12–3.23 Å. In the second U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.26 Å. In the third U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.22 Å. Cu2+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.59–2.67 Å. There are nine inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.08 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+ and one Te2- atom. The Te–Te bond length is 2.94 Å. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry tomore » two U+5.50+ and one Cu2+ atom. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+ and two Te2- atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U+5.50+ and one Cu2+ atom. In the sixth Te2- site, Te2- is bonded in a 2-coordinate geometry to two U+5.50+ atoms. In the seventh Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the eighth Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the ninth Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-1216980
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; U4CuTe12; Cu-Te-U
OSTI Identifier:
1722214
DOI:
https://doi.org/10.17188/1722214

Citation Formats

The Materials Project. Materials Data on U4CuTe12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722214.
The Materials Project. Materials Data on U4CuTe12 by Materials Project. United States. doi:https://doi.org/10.17188/1722214
The Materials Project. 2020. "Materials Data on U4CuTe12 by Materials Project". United States. doi:https://doi.org/10.17188/1722214. https://www.osti.gov/servlets/purl/1722214. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1722214,
title = {Materials Data on U4CuTe12 by Materials Project},
author = {The Materials Project},
abstractNote = {U4CuTe12 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.12–3.23 Å. In the second U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.26 Å. In the third U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.22 Å. Cu2+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.59–2.67 Å. There are nine inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.08 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+ and one Te2- atom. The Te–Te bond length is 2.94 Å. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two U+5.50+ and one Cu2+ atom. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+ and two Te2- atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U+5.50+ and one Cu2+ atom. In the sixth Te2- site, Te2- is bonded in a 2-coordinate geometry to two U+5.50+ atoms. In the seventh Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the eighth Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the ninth Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.},
doi = {10.17188/1722214},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}