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Title: Materials Data on Sb5O7F by Materials Project

Abstract

Sb5O7F crystallizes in the orthorhombic Ibca space group. The structure is two-dimensional and consists of two Sb5O7F sheets oriented in the (0, 0, 1) direction. there are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 2.07–2.70 Å. The Sb–F bond length is 2.80 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.00 Å) and one longer (2.02 Å) Sb–O bond lengths. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- and two equivalent F1- atoms. There are two shorter (2.13 Å) and two longer (2.18 Å) Sb–O bond lengths. Both Sb–F bond lengths are 2.88 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Sb3+ and two equivalent F1- atoms. There are one shorter (2.79 Å) and one longer (3.06 Å) O–F bond lengths. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Sb3+ atoms. In themore » third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sb3+ atoms. F1- is bonded in a 8-coordinate geometry to four Sb3+ and four equivalent O2- atoms.« less

Publication Date:
Other Number(s):
mp-759450
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; Sb5O7F; F-O-Sb
OSTI Identifier:
1291428
DOI:
10.17188/1291428

Citation Formats

The Materials Project. Materials Data on Sb5O7F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291428.
The Materials Project. Materials Data on Sb5O7F by Materials Project. United States. doi:10.17188/1291428.
The Materials Project. 2020. "Materials Data on Sb5O7F by Materials Project". United States. doi:10.17188/1291428. https://www.osti.gov/servlets/purl/1291428. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1291428,
title = {Materials Data on Sb5O7F by Materials Project},
author = {The Materials Project},
abstractNote = {Sb5O7F crystallizes in the orthorhombic Ibca space group. The structure is two-dimensional and consists of two Sb5O7F sheets oriented in the (0, 0, 1) direction. there are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 2.07–2.70 Å. The Sb–F bond length is 2.80 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.00 Å) and one longer (2.02 Å) Sb–O bond lengths. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- and two equivalent F1- atoms. There are two shorter (2.13 Å) and two longer (2.18 Å) Sb–O bond lengths. Both Sb–F bond lengths are 2.88 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Sb3+ and two equivalent F1- atoms. There are one shorter (2.79 Å) and one longer (3.06 Å) O–F bond lengths. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sb3+ atoms. F1- is bonded in a 8-coordinate geometry to four Sb3+ and four equivalent O2- atoms.},
doi = {10.17188/1291428},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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