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Title: Materials Data on SbICl8 by Materials Project

Abstract

SbICl8 crystallizes in the tetragonal P4_1 space group. The structure is one-dimensional and consists of one SbICl8 ribbon oriented in the (0, 0, 1) direction. Sb3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.36–2.57 Å. I5+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of I–Cl bond distances ranging from 2.37–2.85 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Sb3+ and one I5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one I5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Sb3+ and one I5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one I5+ atom.more » In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-569512
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; SbICl8; Cl-I-Sb
OSTI Identifier:
1275132
DOI:
10.17188/1275132

Citation Formats

The Materials Project. Materials Data on SbICl8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275132.
The Materials Project. Materials Data on SbICl8 by Materials Project. United States. doi:10.17188/1275132.
The Materials Project. 2020. "Materials Data on SbICl8 by Materials Project". United States. doi:10.17188/1275132. https://www.osti.gov/servlets/purl/1275132. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1275132,
title = {Materials Data on SbICl8 by Materials Project},
author = {The Materials Project},
abstractNote = {SbICl8 crystallizes in the tetragonal P4_1 space group. The structure is one-dimensional and consists of one SbICl8 ribbon oriented in the (0, 0, 1) direction. Sb3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.36–2.57 Å. I5+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of I–Cl bond distances ranging from 2.37–2.85 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Sb3+ and one I5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one I5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Sb3+ and one I5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one I5+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1275132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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