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Title: Materials Data on Sb3O2F5 by Materials Project

Abstract

Sb3O2F5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Sb3O2F5 clusters. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to one O2- and two F1- atoms. The Sb–O bond length is 2.02 Å. Both Sb–F bond lengths are 2.02 Å. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to two equivalent O2- and one F1- atom. Both Sb–O bond lengths are 2.05 Å. The Sb–F bond length is 2.07 Å. O2- is bonded in a distorted water-like geometry to two Sb3+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

Publication Date:
Other Number(s):
mp-759821
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; Sb3O2F5; F-O-Sb
OSTI Identifier:
1291505
DOI:
10.17188/1291505

Citation Formats

The Materials Project. Materials Data on Sb3O2F5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1291505.
The Materials Project. Materials Data on Sb3O2F5 by Materials Project. United States. doi:10.17188/1291505.
The Materials Project. 2017. "Materials Data on Sb3O2F5 by Materials Project". United States. doi:10.17188/1291505. https://www.osti.gov/servlets/purl/1291505. Pub date:Sat May 20 00:00:00 EDT 2017
@article{osti_1291505,
title = {Materials Data on Sb3O2F5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb3O2F5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Sb3O2F5 clusters. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to one O2- and two F1- atoms. The Sb–O bond length is 2.02 Å. Both Sb–F bond lengths are 2.02 Å. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to two equivalent O2- and one F1- atom. Both Sb–O bond lengths are 2.05 Å. The Sb–F bond length is 2.07 Å. O2- is bonded in a distorted water-like geometry to two Sb3+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1291505},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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