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Title: Materials Data on U3Cu2Sb3 by Materials Project

Abstract

U3Cu2Sb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to six Sb atoms to form a mixture of distorted edge and corner-sharing USb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.10 Å) and three longer (3.13 Å) U–Sb bond lengths. In the second U site, U is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sb atoms. All U–Cu bond lengths are 2.91 Å. All U–Sb bond lengths are 3.26 Å. Cu is bonded in a 10-coordinate geometry to three equivalent U and three equivalent Sb atoms. All Cu–Sb bond lengths are 2.62 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to six U and three equivalent Cu atoms. In the second Sb site, Sb is bonded to six equivalent U atoms to form edge-sharing SbU6 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-30070
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; U3Cu2Sb3; Cu-Sb-U
OSTI Identifier:
1204496
DOI:
https://doi.org/10.17188/1204496

Citation Formats

The Materials Project. Materials Data on U3Cu2Sb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204496.
The Materials Project. Materials Data on U3Cu2Sb3 by Materials Project. United States. doi:https://doi.org/10.17188/1204496
The Materials Project. 2020. "Materials Data on U3Cu2Sb3 by Materials Project". United States. doi:https://doi.org/10.17188/1204496. https://www.osti.gov/servlets/purl/1204496. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204496,
title = {Materials Data on U3Cu2Sb3 by Materials Project},
author = {The Materials Project},
abstractNote = {U3Cu2Sb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to six Sb atoms to form a mixture of distorted edge and corner-sharing USb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.10 Å) and three longer (3.13 Å) U–Sb bond lengths. In the second U site, U is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sb atoms. All U–Cu bond lengths are 2.91 Å. All U–Sb bond lengths are 3.26 Å. Cu is bonded in a 10-coordinate geometry to three equivalent U and three equivalent Sb atoms. All Cu–Sb bond lengths are 2.62 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to six U and three equivalent Cu atoms. In the second Sb site, Sb is bonded to six equivalent U atoms to form edge-sharing SbU6 octahedra.},
doi = {10.17188/1204496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}