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Title: Materials Data on InBr2 by Materials Project

Abstract

InBr2 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.55 Å) and two longer (2.56 Å) In–Br bond lengths. In the second In2+ site, In2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of In–Br bond distances ranging from 3.48–3.57 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to three In2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to three In2+ atoms.

Publication Date:
Other Number(s):
mp-568108
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; InBr2; Br-In
OSTI Identifier:
1274250
DOI:
https://doi.org/10.17188/1274250

Citation Formats

The Materials Project. Materials Data on InBr2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274250.
The Materials Project. Materials Data on InBr2 by Materials Project. United States. doi:https://doi.org/10.17188/1274250
The Materials Project. 2020. "Materials Data on InBr2 by Materials Project". United States. doi:https://doi.org/10.17188/1274250. https://www.osti.gov/servlets/purl/1274250. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1274250,
title = {Materials Data on InBr2 by Materials Project},
author = {The Materials Project},
abstractNote = {InBr2 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.55 Å) and two longer (2.56 Å) In–Br bond lengths. In the second In2+ site, In2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of In–Br bond distances ranging from 3.48–3.57 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to three In2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to three In2+ atoms.},
doi = {10.17188/1274250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}