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Title: Materials Data on Sb3H36(C3I2)4 by Materials Project

Abstract

((CH3)4Sb)3(I)8 crystallizes in the cubic I-43d space group. The structure is zero-dimensional and consists of thirty-two hydriodic acid molecules and twelve (CH3)4Sb clusters. In each (CH3)4Sb cluster, C+2.67- is bonded in a distorted trigonal non-coplanar geometry to one Sb+1.33+ and three H1+ atoms. The C–Sb bond length is 2.14 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. Sb+1.33+ is bonded in a tetrahedral geometry to four equivalent C+2.67- atoms. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-733600
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; Sb3H36(C3I2)4; C-H-I-Sb
OSTI Identifier:
1287691
DOI:
10.17188/1287691

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sb3H36(C3I2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287691.
Persson, Kristin, & Project, Materials. Materials Data on Sb3H36(C3I2)4 by Materials Project. United States. doi:10.17188/1287691.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sb3H36(C3I2)4 by Materials Project". United States. doi:10.17188/1287691. https://www.osti.gov/servlets/purl/1287691. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287691,
title = {Materials Data on Sb3H36(C3I2)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {((CH3)4Sb)3(I)8 crystallizes in the cubic I-43d space group. The structure is zero-dimensional and consists of thirty-two hydriodic acid molecules and twelve (CH3)4Sb clusters. In each (CH3)4Sb cluster, C+2.67- is bonded in a distorted trigonal non-coplanar geometry to one Sb+1.33+ and three H1+ atoms. The C–Sb bond length is 2.14 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. Sb+1.33+ is bonded in a tetrahedral geometry to four equivalent C+2.67- atoms. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom.},
doi = {10.17188/1287691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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