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Title: Materials Data on UTe3 by Materials Project

Abstract

UTe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one UTe3 sheet oriented in the (0, 0, 1) direction. U6+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.18 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. There are one shorter (2.83 Å) and one longer (3.21 Å) Te–Te bond lengths. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded to four equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.

Publication Date:
Other Number(s):
mp-8357
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; UTe3; Te-U
OSTI Identifier:
1308051
DOI:
https://doi.org/10.17188/1308051

Citation Formats

The Materials Project. Materials Data on UTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308051.
The Materials Project. Materials Data on UTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1308051
The Materials Project. 2020. "Materials Data on UTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1308051. https://www.osti.gov/servlets/purl/1308051. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1308051,
title = {Materials Data on UTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {UTe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one UTe3 sheet oriented in the (0, 0, 1) direction. U6+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.18 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. There are one shorter (2.83 Å) and one longer (3.21 Å) Te–Te bond lengths. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded to four equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.},
doi = {10.17188/1308051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}