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Title: Materials Data on SbSe5F6 by Materials Project

Abstract

(SbF3)2(SbF6)2(Se)15(SeF1)4SeF2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixty selen molecules, four selenium difluoride molecules, sixteen selenyl fluoride molecules, four SbF3 clusters, and eight SbF6 clusters. In each SbF3 cluster, there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a single-bond geometry to one F1- atom. The Sb–F bond length is 2.57 Å. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.98 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. Inmore » each SbF6 cluster, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.92–1.94 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-667742
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; SbSe5F6; F-Sb-Se
OSTI Identifier:
1281552
DOI:
10.17188/1281552

Citation Formats

The Materials Project. Materials Data on SbSe5F6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1281552.
The Materials Project. Materials Data on SbSe5F6 by Materials Project. United States. doi:10.17188/1281552.
The Materials Project. 2019. "Materials Data on SbSe5F6 by Materials Project". United States. doi:10.17188/1281552. https://www.osti.gov/servlets/purl/1281552. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1281552,
title = {Materials Data on SbSe5F6 by Materials Project},
author = {The Materials Project},
abstractNote = {(SbF3)2(SbF6)2(Se)15(SeF1)4SeF2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixty selen molecules, four selenium difluoride molecules, sixteen selenyl fluoride molecules, four SbF3 clusters, and eight SbF6 clusters. In each SbF3 cluster, there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a single-bond geometry to one F1- atom. The Sb–F bond length is 2.57 Å. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.98 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In each SbF6 cluster, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.92–1.94 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1281552},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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