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Title: Materials Data on In4Br7 by Materials Project

Abstract

In4Br7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent In+1.75+ sites. In the first In+1.75+ site, In+1.75+ is bonded in a 3-coordinate geometry to three equivalent Br1- atoms. All In–Br bond lengths are 3.26 Å. In the second In+1.75+ site, In+1.75+ is bonded in a tetrahedral geometry to four Br1- atoms. All In–Br bond lengths are 2.54 Å. In the third In+1.75+ site, In+1.75+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are three shorter (3.25 Å) and one longer (3.42 Å) In–Br bond lengths. In the fourth In+1.75+ site, In+1.75+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All In–Br bond lengths are 2.72 Å. In the fifth In+1.75+ site, In+1.75+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All In–Br bond lengths are 3.54 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted linear geometry to two In+1.75+ atoms. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three In+1.75+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to two In+1.75+ atoms.

Publication Date:
Other Number(s):
mp-568692
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; In4Br7; Br-In
OSTI Identifier:
1274645
DOI:
https://doi.org/10.17188/1274645

Citation Formats

The Materials Project. Materials Data on In4Br7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274645.
The Materials Project. Materials Data on In4Br7 by Materials Project. United States. doi:https://doi.org/10.17188/1274645
The Materials Project. 2020. "Materials Data on In4Br7 by Materials Project". United States. doi:https://doi.org/10.17188/1274645. https://www.osti.gov/servlets/purl/1274645. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1274645,
title = {Materials Data on In4Br7 by Materials Project},
author = {The Materials Project},
abstractNote = {In4Br7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent In+1.75+ sites. In the first In+1.75+ site, In+1.75+ is bonded in a 3-coordinate geometry to three equivalent Br1- atoms. All In–Br bond lengths are 3.26 Å. In the second In+1.75+ site, In+1.75+ is bonded in a tetrahedral geometry to four Br1- atoms. All In–Br bond lengths are 2.54 Å. In the third In+1.75+ site, In+1.75+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are three shorter (3.25 Å) and one longer (3.42 Å) In–Br bond lengths. In the fourth In+1.75+ site, In+1.75+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All In–Br bond lengths are 2.72 Å. In the fifth In+1.75+ site, In+1.75+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All In–Br bond lengths are 3.54 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted linear geometry to two In+1.75+ atoms. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three In+1.75+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to two In+1.75+ atoms.},
doi = {10.17188/1274645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}