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Title: Materials Data on Sb2XeF12 by Materials Project

Abstract

XeSb2F12 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two XeSb2F12 clusters. Xe is bonded in a linear geometry to two F atoms. There are one shorter (1.98 Å) and one longer (2.31 Å) Xe–F bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.13 Å. There are twelve inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. 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 single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F ismore » bonded in a single-bond geometry to one Xe atom. 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 single-bond geometry to one Sb atom. 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 single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a bent 150 degrees geometry to one Xe and one Sb atom. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom.« less

Publication Date:
Other Number(s):
mp-1193829
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; Sb2XeF12; F-Sb-Xe
OSTI Identifier:
1654391
DOI:
https://doi.org/10.17188/1654391

Citation Formats

The Materials Project. Materials Data on Sb2XeF12 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1654391.
The Materials Project. Materials Data on Sb2XeF12 by Materials Project. United States. doi:https://doi.org/10.17188/1654391
The Materials Project. 2019. "Materials Data on Sb2XeF12 by Materials Project". United States. doi:https://doi.org/10.17188/1654391. https://www.osti.gov/servlets/purl/1654391. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1654391,
title = {Materials Data on Sb2XeF12 by Materials Project},
author = {The Materials Project},
abstractNote = {XeSb2F12 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two XeSb2F12 clusters. Xe is bonded in a linear geometry to two F atoms. There are one shorter (1.98 Å) and one longer (2.31 Å) Xe–F bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.13 Å. There are twelve inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. 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 single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom. 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 single-bond geometry to one Sb atom. 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 single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a bent 150 degrees geometry to one Xe and one Sb atom. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom.},
doi = {10.17188/1654391},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}