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Title: Materials Data on Na2GaAgCl6 by Materials Project

Abstract

Na2AgGaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent Cl1- atoms to form distorted NaCl12 cuboctahedra that share corners with twelve equivalent NaCl12 cuboctahedra, faces with six equivalent NaCl12 cuboctahedra, faces with four equivalent AgCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Na–Cl bond lengths are 3.58 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.67 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.39 Å. Cl1- is bonded in a linear geometry to four equivalent Na1+, one Ag1+, and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-1111121
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; Na2GaAgCl6; Ag-Cl-Ga-Na
OSTI Identifier:
1656360
DOI:
https://doi.org/10.17188/1656360

Citation Formats

The Materials Project. Materials Data on Na2GaAgCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656360.
The Materials Project. Materials Data on Na2GaAgCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1656360
The Materials Project. 2020. "Materials Data on Na2GaAgCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1656360. https://www.osti.gov/servlets/purl/1656360. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1656360,
title = {Materials Data on Na2GaAgCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2AgGaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent Cl1- atoms to form distorted NaCl12 cuboctahedra that share corners with twelve equivalent NaCl12 cuboctahedra, faces with six equivalent NaCl12 cuboctahedra, faces with four equivalent AgCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Na–Cl bond lengths are 3.58 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.67 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.39 Å. Cl1- is bonded in a linear geometry to four equivalent Na1+, one Ag1+, and one Ga3+ atom.},
doi = {10.17188/1656360},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}