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Title: Materials Data on Sb24(Cl7F17)5 by Materials Project

Abstract

(SbCl4)8(Sb2F11)5(Sb2ClF10)3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three Sb2ClF10 clusters, five Sb2F11 clusters, and eight SbCl4 clusters. In each Sb2ClF10 cluster, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to one Cl and five F atoms to form distorted corner-sharing SbClF5 octahedra. The corner-sharing octahedral tilt angles are 25°. The Sb–Cl bond length is 2.34 Å. There are a spread of Sb–F bond distances ranging from 1.89–2.07 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 25°. There are a spread of Sb–F bond distances ranging from 1.90–2.10 Å. Cl is bonded in a single-bond geometry to one Sb atom. There are ten 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 single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. Inmore » 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 bent 150 degrees geometry to two Sb atoms. 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 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 24°. There are a spread of Sb–F bond distances ranging from 1.89–2.06 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 24°. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are eleven 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 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 bent 150 degrees geometry to two Sb atoms. 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 SbCl4 cluster, Sb is bonded in a tetrahedral geometry to four Cl atoms. There are two shorter (2.27 Å) and two longer (2.28 Å) Sb–Cl bond lengths. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Sb atom.« less

Authors:
Publication Date:
Other Number(s):
mp-532120
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; Sb24(Cl7F17)5; Cl-F-Sb
OSTI Identifier:
1263374
DOI:
https://doi.org/10.17188/1263374

Citation Formats

The Materials Project. Materials Data on Sb24(Cl7F17)5 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1263374.
The Materials Project. Materials Data on Sb24(Cl7F17)5 by Materials Project. United States. doi:https://doi.org/10.17188/1263374
The Materials Project. 2014. "Materials Data on Sb24(Cl7F17)5 by Materials Project". United States. doi:https://doi.org/10.17188/1263374. https://www.osti.gov/servlets/purl/1263374. Pub date:Thu Feb 20 00:00:00 EST 2014
@article{osti_1263374,
title = {Materials Data on Sb24(Cl7F17)5 by Materials Project},
author = {The Materials Project},
abstractNote = {(SbCl4)8(Sb2F11)5(Sb2ClF10)3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three Sb2ClF10 clusters, five Sb2F11 clusters, and eight SbCl4 clusters. In each Sb2ClF10 cluster, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to one Cl and five F atoms to form distorted corner-sharing SbClF5 octahedra. The corner-sharing octahedral tilt angles are 25°. The Sb–Cl bond length is 2.34 Å. There are a spread of Sb–F bond distances ranging from 1.89–2.07 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 25°. There are a spread of Sb–F bond distances ranging from 1.90–2.10 Å. Cl is bonded in a single-bond geometry to one Sb atom. There are ten 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 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 bent 150 degrees geometry to two Sb atoms. 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 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 24°. There are a spread of Sb–F bond distances ranging from 1.89–2.06 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 24°. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are eleven 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 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 bent 150 degrees geometry to two Sb atoms. 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 SbCl4 cluster, Sb is bonded in a tetrahedral geometry to four Cl atoms. There are two shorter (2.27 Å) and two longer (2.28 Å) Sb–Cl bond lengths. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Sb atom.},
doi = {10.17188/1263374},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}