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Title: Materials Data on Sb3O4F by Materials Project

Abstract

Sb3O4F crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Sb3+ sites. In the first 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 1.99–2.07 Å. The Sb–F bond length is 2.55 Å. In the second 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 2.09–2.30 Å. 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 1.99–2.07 Å. The Sb–F bond length is 2.54 Å. In the fourth 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 2.08–2.29 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 2.00–2.08 Å. The Sb–F bond length is 2.49 Å. In the sixth Sb3+ site, Sb3+ is bonded inmore » a rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 1.99–2.07 Å. The Sb–F bond length is 2.49 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three 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 distorted bent 120 degrees geometry to two Sb3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Sb3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two Sb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-753515
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; Sb3O4F; F-O-Sb
OSTI Identifier:
1289047
DOI:
https://doi.org/10.17188/1289047

Citation Formats

The Materials Project. Materials Data on Sb3O4F by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1289047.
The Materials Project. Materials Data on Sb3O4F by Materials Project. United States. doi:https://doi.org/10.17188/1289047
The Materials Project. 2014. "Materials Data on Sb3O4F by Materials Project". United States. doi:https://doi.org/10.17188/1289047. https://www.osti.gov/servlets/purl/1289047. Pub date:Thu Jul 10 00:00:00 EDT 2014
@article{osti_1289047,
title = {Materials Data on Sb3O4F by Materials Project},
author = {The Materials Project},
abstractNote = {Sb3O4F crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Sb3+ sites. In the first 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 1.99–2.07 Å. The Sb–F bond length is 2.55 Å. In the second 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 2.09–2.30 Å. 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 1.99–2.07 Å. The Sb–F bond length is 2.54 Å. In the fourth 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 2.08–2.29 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 2.00–2.08 Å. The Sb–F bond length is 2.49 Å. In the sixth 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 1.99–2.07 Å. The Sb–F bond length is 2.49 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three 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 distorted bent 120 degrees geometry to two Sb3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Sb3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two Sb3+ atoms.},
doi = {10.17188/1289047},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}