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Title: Materials Data on Sb5O7F by Materials Project

Abstract

Sb5O7F is Antimony trioxide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Sb5O7F sheets oriented in the (0, 1, 0) direction. there are five inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.63 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 2.01–2.54 Å. The Sb–F bond length is 2.66 Å. In the third Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.08 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.05 Å. In the fifth 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 2.05–2.10 Å. The Sb–F bond length is 2.20 Å. There are sevenmore » inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted 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 2-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two Sb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb3+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three Sb3+ atoms. F1- is bonded in a 1-coordinate geometry to two Sb3+ atoms.« less

Publication Date:
Other Number(s):
mp-759743
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:
1291486
DOI:
10.17188/1291486

Citation Formats

The Materials Project. Materials Data on Sb5O7F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291486.
The Materials Project. Materials Data on Sb5O7F by Materials Project. United States. doi:10.17188/1291486.
The Materials Project. 2020. "Materials Data on Sb5O7F by Materials Project". United States. doi:10.17188/1291486. https://www.osti.gov/servlets/purl/1291486. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1291486,
title = {Materials Data on Sb5O7F by Materials Project},
author = {The Materials Project},
abstractNote = {Sb5O7F is Antimony trioxide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Sb5O7F sheets oriented in the (0, 1, 0) direction. there are five inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.63 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 2.01–2.54 Å. The Sb–F bond length is 2.66 Å. In the third Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.08 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.05 Å. In the fifth 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 2.05–2.10 Å. The Sb–F bond length is 2.20 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted 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 2-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two Sb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb3+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three Sb3+ atoms. F1- is bonded in a 1-coordinate geometry to two Sb3+ atoms.},
doi = {10.17188/1291486},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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