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Title: Materials Data on UCrS3 by Materials Project

Abstract

UCrS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.70–3.08 Å. Cr3+ is bonded to six S2- atoms to form corner-sharing CrS6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of Cr–S bond distances ranging from 2.41–2.54 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Cr3+ atoms. In the second S2- site, S2- is bonded to two equivalent U3+ and two equivalent Cr3+ atoms to form distorted corner-sharing SU2Cr2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-22063
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; UCrS3; Cr-S-U
OSTI Identifier:
1197325
DOI:
https://doi.org/10.17188/1197325

Citation Formats

The Materials Project. Materials Data on UCrS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197325.
The Materials Project. Materials Data on UCrS3 by Materials Project. United States. doi:https://doi.org/10.17188/1197325
The Materials Project. 2020. "Materials Data on UCrS3 by Materials Project". United States. doi:https://doi.org/10.17188/1197325. https://www.osti.gov/servlets/purl/1197325. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1197325,
title = {Materials Data on UCrS3 by Materials Project},
author = {The Materials Project},
abstractNote = {UCrS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.70–3.08 Å. Cr3+ is bonded to six S2- atoms to form corner-sharing CrS6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of Cr–S bond distances ranging from 2.41–2.54 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Cr3+ atoms. In the second S2- site, S2- is bonded to two equivalent U3+ and two equivalent Cr3+ atoms to form distorted corner-sharing SU2Cr2 trigonal pyramids.},
doi = {10.17188/1197325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}