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Title: Materials Data on Sb2AsAuXeF14 by Materials Project

Abstract

XeAuAsF3Sb2F11 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four Sb2F11 clusters and four XeAuAsF3 clusters. In each Sb2F11 cluster, 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 23°. There are a spread of Sb–F bond distances ranging from 1.89–2.08 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 23°. There are a spread of Sb–F bond distances ranging from 1.90–2.09 Å. There are eleven 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 Sb atom. In the sixth F site, F is bondedmore » 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 single-bond geometry to one Sb atom. In each XeAuAsF3 cluster, Xe is bonded in a single-bond geometry to one Au atom. The Xe–Au bond length is 2.67 Å. Au is bonded in a linear geometry to one Xe and one As atom. The Au–As bond length is 2.35 Å. As is bonded in a 4-coordinate geometry to one Au and three F atoms. All As–F bond lengths are 1.72 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1201608
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; Sb2AsAuXeF14; As-Au-F-Sb-Xe
OSTI Identifier:
1738600
DOI:
https://doi.org/10.17188/1738600

Citation Formats

The Materials Project. Materials Data on Sb2AsAuXeF14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738600.
The Materials Project. Materials Data on Sb2AsAuXeF14 by Materials Project. United States. doi:https://doi.org/10.17188/1738600
The Materials Project. 2020. "Materials Data on Sb2AsAuXeF14 by Materials Project". United States. doi:https://doi.org/10.17188/1738600. https://www.osti.gov/servlets/purl/1738600. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1738600,
title = {Materials Data on Sb2AsAuXeF14 by Materials Project},
author = {The Materials Project},
abstractNote = {XeAuAsF3Sb2F11 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four Sb2F11 clusters and four XeAuAsF3 clusters. In each Sb2F11 cluster, 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 23°. There are a spread of Sb–F bond distances ranging from 1.89–2.08 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 23°. There are a spread of Sb–F bond distances ranging from 1.90–2.09 Å. There are eleven 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 Sb 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 single-bond geometry to one Sb atom. In each XeAuAsF3 cluster, Xe is bonded in a single-bond geometry to one Au atom. The Xe–Au bond length is 2.67 Å. Au is bonded in a linear geometry to one Xe and one As atom. The Au–As bond length is 2.35 Å. As is bonded in a 4-coordinate geometry to one Au and three F atoms. All As–F bond lengths are 1.72 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom.},
doi = {10.17188/1738600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}