Title: Materials Data on Ba5Sb3 by Materials Project

Abstract

Ba5Sb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 3-coordinate geometry to five equivalent Sb atoms. There are a spread of Ba–Sb bond distances ranging from 3.49–4.19 Å. In the second Ba site, Ba is bonded to six equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ba–Sb bond lengths are 3.70 Å. Sb is bonded in a 9-coordinate geometry to nine Ba atoms.

Publication Date:
Other Number(s):
mp-9909
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ba-Sb; Ba5Sb3; crystal structure
OSTI Identifier:
1316969
DOI:
https://doi.org/10.17188/1316969

Citation Formats

Materials Data on Ba5Sb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316969.
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Materials Data on Ba5Sb3 by Materials Project. United States. doi:https://doi.org/10.17188/1316969
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2020. "Materials Data on Ba5Sb3 by Materials Project". United States. doi:https://doi.org/10.17188/1316969. https://www.osti.gov/servlets/purl/1316969. Pub date:Wed Jul 22 20:00:00 EDT 2020
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@article{osti_1316969,
title = {Materials Data on Ba5Sb3 by Materials Project},
abstractNote = {Ba5Sb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 3-coordinate geometry to five equivalent Sb atoms. There are a spread of Ba–Sb bond distances ranging from 3.49–4.19 Å. In the second Ba site, Ba is bonded to six equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ba–Sb bond lengths are 3.70 Å. Sb is bonded in a 9-coordinate geometry to nine Ba atoms.},
doi = {10.17188/1316969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1316969
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