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Title: Materials Data on U2TlSe6 by Materials Project

Abstract

U2TlSe6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U+5.50+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–2.95 Å. Tl1+ is bonded in a distorted body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+, two equivalent Tl1+, and two equivalent Se2- atoms. There are one shorter (2.72 Å) and one longer (2.80 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded to four equivalent U+5.50+ atoms to form a mixture of distorted corner and edge-sharing SeU4 trigonal pyramids.

Publication Date:
Other Number(s):
mp-1078777
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; U2TlSe6; Se-Tl-U
OSTI Identifier:
1749033
DOI:
https://doi.org/10.17188/1749033

Citation Formats

The Materials Project. Materials Data on U2TlSe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749033.
The Materials Project. Materials Data on U2TlSe6 by Materials Project. United States. doi:https://doi.org/10.17188/1749033
The Materials Project. 2020. "Materials Data on U2TlSe6 by Materials Project". United States. doi:https://doi.org/10.17188/1749033. https://www.osti.gov/servlets/purl/1749033. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749033,
title = {Materials Data on U2TlSe6 by Materials Project},
author = {The Materials Project},
abstractNote = {U2TlSe6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U+5.50+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–2.95 Å. Tl1+ is bonded in a distorted body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+, two equivalent Tl1+, and two equivalent Se2- atoms. There are one shorter (2.72 Å) and one longer (2.80 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded to four equivalent U+5.50+ atoms to form a mixture of distorted corner and edge-sharing SeU4 trigonal pyramids.},
doi = {10.17188/1749033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}