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Title: Materials Data on Na2InAgCl6 by Materials Project

Abstract

(Na)2AgInCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one AgInCl6 framework. In the AgInCl6 framework, Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.67 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a linear geometry to one Ag1+ and one In3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1111534
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; Na2InAgCl6; Ag-Cl-In-Na
OSTI Identifier:
1672337
DOI:
10.17188/1672337

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2InAgCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672337.
Persson, Kristin, & Project, Materials. Materials Data on Na2InAgCl6 by Materials Project. United States. doi:10.17188/1672337.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2InAgCl6 by Materials Project". United States. doi:10.17188/1672337. https://www.osti.gov/servlets/purl/1672337. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672337,
title = {Materials Data on Na2InAgCl6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(Na)2AgInCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one AgInCl6 framework. In the AgInCl6 framework, Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.67 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a linear geometry to one Ag1+ and one In3+ atom.},
doi = {10.17188/1672337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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