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Title: Materials Data on SbF4 by Materials Project

Abstract

SbF4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SbF4 ribbons oriented in the (0, 0, 1) direction. there are four inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. There are a spread of Sb–F bond distances ranging from 1.88–1.97 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. There are a spread of Sb–F bond distances ranging from 1.89–2.01 Å. In the third Sb site, Sb is bonded in a 5-coordinate geometry to four F atoms. There are a spread of Sb–F bond distances ranging from 1.93–2.52 Å. In the fourth Sb site, Sb is bonded to six F atoms to form distorted corner-sharing SbF6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 30–42°. There are a spread of Sb–F bond distances ranging from 1.91–2.42 Å. There are sixteen inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, Fmore » is bonded in a bent 150 degrees geometry to two Sb atoms. In the fourth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the fifth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the ninth F site, F is bonded in a single-bond geometry to one Sb atom. In the tenth F site, F is bonded in a distorted single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a single-bond geometry to one Sb atom. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom. In the thirteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fourteenth F site, F is bonded in a distorted bent 150 degrees geometry to two Sb atoms. In the fifteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixteenth F site, F is bonded in a distorted bent 150 degrees geometry to two Sb atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556425
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; SbF4; F-Sb
OSTI Identifier:
1269345
DOI:
10.17188/1269345

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SbF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269345.
Persson, Kristin, & Project, Materials. Materials Data on SbF4 by Materials Project. United States. doi:10.17188/1269345.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SbF4 by Materials Project". United States. doi:10.17188/1269345. https://www.osti.gov/servlets/purl/1269345. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1269345,
title = {Materials Data on SbF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SbF4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SbF4 ribbons oriented in the (0, 0, 1) direction. there are four inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. There are a spread of Sb–F bond distances ranging from 1.88–1.97 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. There are a spread of Sb–F bond distances ranging from 1.89–2.01 Å. In the third Sb site, Sb is bonded in a 5-coordinate geometry to four F atoms. There are a spread of Sb–F bond distances ranging from 1.93–2.52 Å. In the fourth Sb site, Sb is bonded to six F atoms to form distorted corner-sharing SbF6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 30–42°. There are a spread of Sb–F bond distances ranging from 1.91–2.42 Å. There are sixteen inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the fourth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the fifth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the ninth F site, F is bonded in a single-bond geometry to one Sb atom. In the tenth F site, F is bonded in a distorted single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a single-bond geometry to one Sb atom. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom. In the thirteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fourteenth F site, F is bonded in a distorted bent 150 degrees geometry to two Sb atoms. In the fifteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixteenth F site, F is bonded in a distorted bent 150 degrees geometry to two Sb atoms.},
doi = {10.17188/1269345},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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