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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 10-coordinate geometry to ten Te2- atoms. There are a spread of U–Te bond distances ranging from 3.26–3.50 Å. In the second U+5.50+ site, U+5.50+ is bonded in a 10-coordinate geometry to ten Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.49 Å. In the third U+5.50+ site, U+5.50+ is bonded in a 10-coordinate geometry to ten Te2- atoms. There are a spread of U–Te bond distances ranging from 3.14–3.56 Å. Cu2+ is bonded in a trigonal bipyramidal geometry to five Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.50–2.73 Å. There are nine inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 1-coordinate geometry to three U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.33 Å. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four U+5.50+ and one Te2- atom. The Te–Te bond length is 3.79 Å. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to twomore » U+5.50+ and one Te2- atom. The Te–Te bond length is 3.65 Å. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to four U+5.50+ and two Te2- atoms. There are one shorter (2.96 Å) and one longer (3.16 Å) Te–Te bond lengths. In the fifth Te2- site, Te2- is bonded in a 1-coordinate geometry to three U+5.50+, one Cu2+, and one Te2- atom. In the sixth Te2- site, Te2- is bonded in a 4-coordinate geometry to four U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.00 Å. In the seventh Te2- site, Te2- is bonded in a 2-coordinate geometry to four U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.85 Å. In the eighth Te2- site, Te2- is bonded in a 12-coordinate geometry to two equivalent U+5.50+ and ten Te2- atoms. The Te–Te bond length is 3.37 Å. In the ninth Te2- site, Te2- is bonded in a 4-coordinate geometry to four U+5.50+ and one Te2- atom.« less

Publication Date:
Other Number(s):
mp-1100980
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; U4CuTe12; Cu-Te-U
OSTI Identifier:
1684537
DOI:
https://doi.org/10.17188/1684537

Citation Formats

The Materials Project. Materials Data on U4CuTe12 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1684537.
The Materials Project. Materials Data on U4CuTe12 by Materials Project. United States. doi:https://doi.org/10.17188/1684537
The Materials Project. 2018. "Materials Data on U4CuTe12 by Materials Project". United States. doi:https://doi.org/10.17188/1684537. https://www.osti.gov/servlets/purl/1684537. Pub date:Sun Jul 15 00:00:00 EDT 2018
@article{osti_1684537,
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 10-coordinate geometry to ten Te2- atoms. There are a spread of U–Te bond distances ranging from 3.26–3.50 Å. In the second U+5.50+ site, U+5.50+ is bonded in a 10-coordinate geometry to ten Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.49 Å. In the third U+5.50+ site, U+5.50+ is bonded in a 10-coordinate geometry to ten Te2- atoms. There are a spread of U–Te bond distances ranging from 3.14–3.56 Å. Cu2+ is bonded in a trigonal bipyramidal geometry to five Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.50–2.73 Å. There are nine inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 1-coordinate geometry to three U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.33 Å. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four U+5.50+ and one Te2- atom. The Te–Te bond length is 3.79 Å. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to two U+5.50+ and one Te2- atom. The Te–Te bond length is 3.65 Å. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to four U+5.50+ and two Te2- atoms. There are one shorter (2.96 Å) and one longer (3.16 Å) Te–Te bond lengths. In the fifth Te2- site, Te2- is bonded in a 1-coordinate geometry to three U+5.50+, one Cu2+, and one Te2- atom. In the sixth Te2- site, Te2- is bonded in a 4-coordinate geometry to four U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.00 Å. In the seventh Te2- site, Te2- is bonded in a 2-coordinate geometry to four U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.85 Å. In the eighth Te2- site, Te2- is bonded in a 12-coordinate geometry to two equivalent U+5.50+ and ten Te2- atoms. The Te–Te bond length is 3.37 Å. In the ninth Te2- site, Te2- is bonded in a 4-coordinate geometry to four U+5.50+ and one Te2- atom.},
doi = {10.17188/1684537},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}