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Title: Materials Data on Sb2OF8 by Materials Project

Abstract

Sb2OF8 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Sb2OF8 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form corner-sharing SbOF5 octahedra. The corner-sharing octahedral tilt angles are 44°. The Sb–O bond length is 1.99 Å. There is four shorter (1.89 Å) and one longer (2.10 Å) Sb–F bond length. In the second Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form a mixture of distorted corner and face-sharing SbOF5 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. The Sb–O bond length is 1.84 Å. There are a spread of Sb–F bond distances ranging from 1.87–2.11 Å. O2- is bonded in a linear geometry to two Sb5+ atoms. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ atoms. 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+more » atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms.« less

Publication Date:
Other Number(s):
mp-758899
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; Sb2OF8; F-O-Sb
OSTI Identifier:
1291299
DOI:
10.17188/1291299

Citation Formats

The Materials Project. Materials Data on Sb2OF8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291299.
The Materials Project. Materials Data on Sb2OF8 by Materials Project. United States. doi:10.17188/1291299.
The Materials Project. 2020. "Materials Data on Sb2OF8 by Materials Project". United States. doi:10.17188/1291299. https://www.osti.gov/servlets/purl/1291299. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1291299,
title = {Materials Data on Sb2OF8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb2OF8 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Sb2OF8 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form corner-sharing SbOF5 octahedra. The corner-sharing octahedral tilt angles are 44°. The Sb–O bond length is 1.99 Å. There is four shorter (1.89 Å) and one longer (2.10 Å) Sb–F bond length. In the second Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form a mixture of distorted corner and face-sharing SbOF5 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. The Sb–O bond length is 1.84 Å. There are a spread of Sb–F bond distances ranging from 1.87–2.11 Å. O2- is bonded in a linear geometry to two Sb5+ atoms. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ atoms. 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. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms.},
doi = {10.17188/1291299},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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