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Title: Materials Data on Sb2H10(CF2)3 by Materials Project

Abstract

C3SbH10SbF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight C3SbH10 clusters and eight SbF6 clusters. In four of the C3SbH10 clusters, there are three inequivalent C+1.33- sites. In the first C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the third C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. Sb is bonded in a tetrahedral geometry to three C+1.33- and one H1+ atom. The Sb–H bond length is 1.69 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry tomore » one C+1.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one Sb atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In four of the C3SbH10 clusters, there are three inequivalent C+1.33- sites. In the first C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the third C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. Sb is bonded in a tetrahedral geometry to three C+1.33- and one H1+ atom. The Sb–H bond length is 1.69 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one Sb atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In each SbF6 cluster, Sb is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.94 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1179653
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; Sb2H10(CF2)3; C-F-H-Sb
OSTI Identifier:
1757911
DOI:
https://doi.org/10.17188/1757911

Citation Formats

The Materials Project. Materials Data on Sb2H10(CF2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757911.
The Materials Project. Materials Data on Sb2H10(CF2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1757911
The Materials Project. 2020. "Materials Data on Sb2H10(CF2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1757911. https://www.osti.gov/servlets/purl/1757911. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757911,
title = {Materials Data on Sb2H10(CF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {C3SbH10SbF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight C3SbH10 clusters and eight SbF6 clusters. In four of the C3SbH10 clusters, there are three inequivalent C+1.33- sites. In the first C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the third C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. Sb is bonded in a tetrahedral geometry to three C+1.33- and one H1+ atom. The Sb–H bond length is 1.69 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one Sb atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In four of the C3SbH10 clusters, there are three inequivalent C+1.33- sites. In the first C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the third C+1.33- site, C+1.33- is bonded in a distorted trigonal non-coplanar geometry to one Sb and three H1+ atoms. The C–Sb bond length is 2.12 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. Sb is bonded in a tetrahedral geometry to three C+1.33- and one H1+ atom. The Sb–H bond length is 1.69 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one Sb atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.33- atom. In each SbF6 cluster, Sb is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.94 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb atom.},
doi = {10.17188/1757911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}