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Title: Materials Data on LuUTe6 by Materials Project

Abstract

ULuTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two ULuTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. All U–Te bond lengths are 3.22 Å. Lu3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Lu–Te bond distances ranging from 3.22–3.24 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Lu3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.07 Å. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.07 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Lu3+ atom. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Lu3+ atoms. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 6-coordinatemore » geometry to two equivalent Lu3+ and four equivalent Te1- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1222521
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; LuUTe6; Lu-Te-U
OSTI Identifier:
1734015
DOI:
https://doi.org/10.17188/1734015

Citation Formats

The Materials Project. Materials Data on LuUTe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734015.
The Materials Project. Materials Data on LuUTe6 by Materials Project. United States. doi:https://doi.org/10.17188/1734015
The Materials Project. 2020. "Materials Data on LuUTe6 by Materials Project". United States. doi:https://doi.org/10.17188/1734015. https://www.osti.gov/servlets/purl/1734015. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1734015,
title = {Materials Data on LuUTe6 by Materials Project},
author = {The Materials Project},
abstractNote = {ULuTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two ULuTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. All U–Te bond lengths are 3.22 Å. Lu3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Lu–Te bond distances ranging from 3.22–3.24 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Lu3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.07 Å. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.07 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Lu3+ atom. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Lu3+ atoms. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Lu3+ and four equivalent Te1- atoms.},
doi = {10.17188/1734015},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}