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Title: Materials Data on BaSbF5 by Materials Project

Abstract

BaSbF5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.70–2.92 Å. Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 2.01–2.13 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sb3+ atom.

Publication Date:
Other Number(s):
mp-18099
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; BaSbF5; Ba-F-Sb
OSTI Identifier:
1192887
DOI:
https://doi.org/10.17188/1192887

Citation Formats

The Materials Project. Materials Data on BaSbF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192887.
The Materials Project. Materials Data on BaSbF5 by Materials Project. United States. doi:https://doi.org/10.17188/1192887
The Materials Project. 2020. "Materials Data on BaSbF5 by Materials Project". United States. doi:https://doi.org/10.17188/1192887. https://www.osti.gov/servlets/purl/1192887. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192887,
title = {Materials Data on BaSbF5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSbF5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.70–2.92 Å. Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 2.01–2.13 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sb3+ atom.},
doi = {10.17188/1192887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}