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Title: Materials Data on TmU2S3O2 by Materials Project

Abstract

U2TmS3O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U+3.50+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All U–S bond lengths are 2.95 Å. All U–O bond lengths are 2.33 Å. Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–S bond lengths are 2.68 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent U+3.50+ and one Tm3+ atom. In the second S2- site, S2- is bonded in a square co-planar geometry to four equivalent Tm3+ atoms. O2- is bonded to four equivalent U+3.50+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1025490
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; TmU2S3O2; O-S-Tm-U
OSTI Identifier:
1355276
DOI:
https://doi.org/10.17188/1355276

Citation Formats

The Materials Project. Materials Data on TmU2S3O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355276.
The Materials Project. Materials Data on TmU2S3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1355276
The Materials Project. 2020. "Materials Data on TmU2S3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1355276. https://www.osti.gov/servlets/purl/1355276. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355276,
title = {Materials Data on TmU2S3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {U2TmS3O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U+3.50+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All U–S bond lengths are 2.95 Å. All U–O bond lengths are 2.33 Å. Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–S bond lengths are 2.68 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent U+3.50+ and one Tm3+ atom. In the second S2- site, S2- is bonded in a square co-planar geometry to four equivalent Tm3+ atoms. O2- is bonded to four equivalent U+3.50+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.},
doi = {10.17188/1355276},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}