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Title: Materials Data on SbOF3 by Materials Project

Abstract

SbOF3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two SbOF3 clusters. Sb5+ is bonded to two equivalent O2- and three F1- atoms to form edge-sharing SbO2F3 trigonal bipyramids. There is one shorter (1.96 Å) and one longer (2.02 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.88–1.90 Å. O2- is bonded in a water-like geometry to two equivalent Sb5+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-761759
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; SbOF3; F-O-Sb
OSTI Identifier:
1292262
DOI:
https://doi.org/10.17188/1292262

Citation Formats

The Materials Project. Materials Data on SbOF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1292262.
The Materials Project. Materials Data on SbOF3 by Materials Project. United States. doi:https://doi.org/10.17188/1292262
The Materials Project. 2020. "Materials Data on SbOF3 by Materials Project". United States. doi:https://doi.org/10.17188/1292262. https://www.osti.gov/servlets/purl/1292262. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1292262,
title = {Materials Data on SbOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {SbOF3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two SbOF3 clusters. Sb5+ is bonded to two equivalent O2- and three F1- atoms to form edge-sharing SbO2F3 trigonal bipyramids. There is one shorter (1.96 Å) and one longer (2.02 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.88–1.90 Å. O2- is bonded in a water-like geometry to two equivalent Sb5+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1292262},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}