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Title: Materials Data on InCl by Materials Project

Abstract

InCl crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.90–3.36 Å. In the second In1+ site, In1+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.91–2.98 Å. In the third In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.93 Å. In the fourth In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.94 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to four In1+ atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three In1+ atoms. In the third Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms.

Publication Date:
Other Number(s):
mp-23276
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; InCl; Cl-In
OSTI Identifier:
1199386
DOI:
https://doi.org/10.17188/1199386

Citation Formats

The Materials Project. Materials Data on InCl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199386.
The Materials Project. Materials Data on InCl by Materials Project. United States. doi:https://doi.org/10.17188/1199386
The Materials Project. 2020. "Materials Data on InCl by Materials Project". United States. doi:https://doi.org/10.17188/1199386. https://www.osti.gov/servlets/purl/1199386. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1199386,
title = {Materials Data on InCl by Materials Project},
author = {The Materials Project},
abstractNote = {InCl crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.90–3.36 Å. In the second In1+ site, In1+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.91–2.98 Å. In the third In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.93 Å. In the fourth In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.94 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to four In1+ atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three In1+ atoms. In the third Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms.},
doi = {10.17188/1199386},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}