DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na2InCuBr6 by Materials Project

Abstract

(Na)2CuInBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one CuInBr6 framework. In the CuInBr6 framework, Cu1+ is bonded to six equivalent Br1- atoms to form CuBr6 octahedra that share corners with six equivalent InBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Br bond lengths are 2.62 Å. In3+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent CuBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.73 Å. Br1- is bonded in a linear geometry to one Cu1+ and one In3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111503
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; Na2InCuBr6; Br-Cu-In-Na
OSTI Identifier:
1734182
DOI:
https://doi.org/10.17188/1734182

Citation Formats

The Materials Project. Materials Data on Na2InCuBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734182.
The Materials Project. Materials Data on Na2InCuBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1734182
The Materials Project. 2020. "Materials Data on Na2InCuBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1734182. https://www.osti.gov/servlets/purl/1734182. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1734182,
title = {Materials Data on Na2InCuBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Na)2CuInBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one CuInBr6 framework. In the CuInBr6 framework, Cu1+ is bonded to six equivalent Br1- atoms to form CuBr6 octahedra that share corners with six equivalent InBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Br bond lengths are 2.62 Å. In3+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent CuBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.73 Å. Br1- is bonded in a linear geometry to one Cu1+ and one In3+ atom.},
doi = {10.17188/1734182},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}