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Title: Materials Data on Sb4O5F2 by Materials Project

Abstract

Sb4O5F2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Sb4O5F2 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to two equivalent O2- and two F1- atoms. Both Sb–O bond lengths are 2.02 Å. There are one shorter (2.02 Å) and one longer (2.57 Å) Sb–F bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.05 Å) and one longer (2.08 Å) Sb–O bond lengths. In the third Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 1.98–2.19 Å. The Sb–F bond length is 2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sb3+ atoms.more » There are two 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 3-coordinate geometry to three Sb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-759707
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; Sb4O5F2; F-O-Sb
OSTI Identifier:
1291474
DOI:
https://doi.org/10.17188/1291474

Citation Formats

The Materials Project. Materials Data on Sb4O5F2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291474.
The Materials Project. Materials Data on Sb4O5F2 by Materials Project. United States. doi:https://doi.org/10.17188/1291474
The Materials Project. 2020. "Materials Data on Sb4O5F2 by Materials Project". United States. doi:https://doi.org/10.17188/1291474. https://www.osti.gov/servlets/purl/1291474. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1291474,
title = {Materials Data on Sb4O5F2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb4O5F2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Sb4O5F2 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to two equivalent O2- and two F1- atoms. Both Sb–O bond lengths are 2.02 Å. There are one shorter (2.02 Å) and one longer (2.57 Å) Sb–F bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.05 Å) and one longer (2.08 Å) Sb–O bond lengths. In the third Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 1.98–2.19 Å. The Sb–F bond length is 2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sb3+ atoms. There are two 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 3-coordinate geometry to three Sb3+ atoms.},
doi = {10.17188/1291474},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}