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Title: Materials Data on NaInBr4 by Materials Project

Abstract

NaInBr4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of Na–Br bond distances ranging from 2.99–3.44 Å. In3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are three shorter (2.55 Å) and one longer (2.57 Å) In–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one In3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one In3+ atom. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one Na1+ and one In3+ atom. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to one Na1+ and one In3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-28569
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; NaInBr4; Br-In-Na
OSTI Identifier:
1202669
DOI:
https://doi.org/10.17188/1202669

Citation Formats

The Materials Project. Materials Data on NaInBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202669.
The Materials Project. Materials Data on NaInBr4 by Materials Project. United States. doi:https://doi.org/10.17188/1202669
The Materials Project. 2020. "Materials Data on NaInBr4 by Materials Project". United States. doi:https://doi.org/10.17188/1202669. https://www.osti.gov/servlets/purl/1202669. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1202669,
title = {Materials Data on NaInBr4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaInBr4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of Na–Br bond distances ranging from 2.99–3.44 Å. In3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are three shorter (2.55 Å) and one longer (2.57 Å) In–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one In3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one In3+ atom. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one Na1+ and one In3+ atom. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to one Na1+ and one In3+ atom.},
doi = {10.17188/1202669},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}