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Title: Materials Data on SbH6C2I by Materials Project

Abstract

C2SbH6I crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight schembl11752952 molecules. there are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sb3+ and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sb3+ and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. Sb3+ is bonded in a 2-coordinate geometry to two C4- and one I1- atom. The Sb–I bond length is 2.86 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C4-more » atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. I1- is bonded in a single-bond geometry to one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-582587
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; SbH6C2I; C-H-I-Sb
OSTI Identifier:
1276987
DOI:
https://doi.org/10.17188/1276987

Citation Formats

The Materials Project. Materials Data on SbH6C2I by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1276987.
The Materials Project. Materials Data on SbH6C2I by Materials Project. United States. doi:https://doi.org/10.17188/1276987
The Materials Project. 2017. "Materials Data on SbH6C2I by Materials Project". United States. doi:https://doi.org/10.17188/1276987. https://www.osti.gov/servlets/purl/1276987. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1276987,
title = {Materials Data on SbH6C2I by Materials Project},
author = {The Materials Project},
abstractNote = {C2SbH6I crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight schembl11752952 molecules. there are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sb3+ and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sb3+ and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. Sb3+ is bonded in a 2-coordinate geometry to two C4- and one I1- atom. The Sb–I bond length is 2.86 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. I1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1276987},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}