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Title: Materials Data on InI2Br by Materials Project

Abstract

InI2Br is Chromium trichloride-derived structured and crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one InI2Br sheet oriented in the (0, 0, 1) direction. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four I1- and two Br1- atoms to form edge-sharing InI4Br2 octahedra. There are a spread of In–I bond distances ranging from 2.94–2.97 Å. There are one shorter (2.76 Å) and one longer (2.77 Å) In–Br bond lengths. In the second In3+ site, In3+ is bonded to four I1- and two Br1- atoms to form edge-sharing InI4Br2 octahedra. There are a spread of In–I bond distances ranging from 2.94–2.96 Å. There are one shorter (2.76 Å) and one longer (2.77 Å) In–Br bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. There aremore » two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two In3+ atoms. In the second Br1- site, Br1- is bonded in a water-like geometry to two In3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1223696
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; InI2Br; Br-I-In
OSTI Identifier:
1687873
DOI:
https://doi.org/10.17188/1687873

Citation Formats

The Materials Project. Materials Data on InI2Br by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687873.
The Materials Project. Materials Data on InI2Br by Materials Project. United States. doi:https://doi.org/10.17188/1687873
The Materials Project. 2020. "Materials Data on InI2Br by Materials Project". United States. doi:https://doi.org/10.17188/1687873. https://www.osti.gov/servlets/purl/1687873. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687873,
title = {Materials Data on InI2Br by Materials Project},
author = {The Materials Project},
abstractNote = {InI2Br is Chromium trichloride-derived structured and crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one InI2Br sheet oriented in the (0, 0, 1) direction. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four I1- and two Br1- atoms to form edge-sharing InI4Br2 octahedra. There are a spread of In–I bond distances ranging from 2.94–2.97 Å. There are one shorter (2.76 Å) and one longer (2.77 Å) In–Br bond lengths. In the second In3+ site, In3+ is bonded to four I1- and two Br1- atoms to form edge-sharing InI4Br2 octahedra. There are a spread of In–I bond distances ranging from 2.94–2.96 Å. There are one shorter (2.76 Å) and one longer (2.77 Å) In–Br bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two In3+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two In3+ atoms. In the second Br1- site, Br1- is bonded in a water-like geometry to two In3+ atoms.},
doi = {10.17188/1687873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}