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Title: Materials Data on In7Br9 by Materials Project

Abstract

In7Br9 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent In+1.29+ sites. In the first In+1.29+ site, In+1.29+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of In–Br bond distances ranging from 3.08–3.38 Å. In the second In+1.29+ site, In+1.29+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All In–Br bond lengths are 2.73 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent In+1.29+ atoms. In the second Br1- site, Br1- is bonded in an octahedral geometry to six equivalent In+1.29+ atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three In+1.29+ atoms.

Publication Date:
Other Number(s):
mp-28988
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; In7Br9; Br-In
OSTI Identifier:
1203041
DOI:
https://doi.org/10.17188/1203041

Citation Formats

The Materials Project. Materials Data on In7Br9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203041.
The Materials Project. Materials Data on In7Br9 by Materials Project. United States. doi:https://doi.org/10.17188/1203041
The Materials Project. 2020. "Materials Data on In7Br9 by Materials Project". United States. doi:https://doi.org/10.17188/1203041. https://www.osti.gov/servlets/purl/1203041. Pub date:Thu May 28 00:00:00 EDT 2020
@article{osti_1203041,
title = {Materials Data on In7Br9 by Materials Project},
author = {The Materials Project},
abstractNote = {In7Br9 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent In+1.29+ sites. In the first In+1.29+ site, In+1.29+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of In–Br bond distances ranging from 3.08–3.38 Å. In the second In+1.29+ site, In+1.29+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All In–Br bond lengths are 2.73 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent In+1.29+ atoms. In the second Br1- site, Br1- is bonded in an octahedral geometry to six equivalent In+1.29+ atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three In+1.29+ atoms.},
doi = {10.17188/1203041},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}