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Title: Materials Data on U3NbSb5 by Materials Project

Abstract

U3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U+3.33+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.14–3.24 Å. Nb5+ is bonded to six equivalent Sb3- atoms to form face-sharing NbSb6 octahedra. All Nb–Sb bond lengths are 2.89 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six equivalent U+3.33+ and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 3.06 Å. In the second Sb3- site, Sb3- is bonded to five equivalent U+3.33+ and two equivalent Nb5+ atoms to form a mixture of distorted face, edge, and corner-sharing SbU5Nb2 pentagonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-570831
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; U3NbSb5; Nb-Sb-U
OSTI Identifier:
1275931
DOI:
https://doi.org/10.17188/1275931

Citation Formats

The Materials Project. Materials Data on U3NbSb5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275931.
The Materials Project. Materials Data on U3NbSb5 by Materials Project. United States. doi:https://doi.org/10.17188/1275931
The Materials Project. 2020. "Materials Data on U3NbSb5 by Materials Project". United States. doi:https://doi.org/10.17188/1275931. https://www.osti.gov/servlets/purl/1275931. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1275931,
title = {Materials Data on U3NbSb5 by Materials Project},
author = {The Materials Project},
abstractNote = {U3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U+3.33+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.14–3.24 Å. Nb5+ is bonded to six equivalent Sb3- atoms to form face-sharing NbSb6 octahedra. All Nb–Sb bond lengths are 2.89 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six equivalent U+3.33+ and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 3.06 Å. In the second Sb3- site, Sb3- is bonded to five equivalent U+3.33+ and two equivalent Nb5+ atoms to form a mixture of distorted face, edge, and corner-sharing SbU5Nb2 pentagonal bipyramids.},
doi = {10.17188/1275931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}