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Title: Materials Data on Ba6Ga5N by Materials Project

Abstract

Ba6Ga5N crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted single-bond geometry to five Ga and one N atom. There are a spread of Ba–Ga bond distances ranging from 3.50–3.72 Å. The Ba–N bond length is 2.77 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Ba and four Ga atoms. There are two shorter (2.74 Å) and two longer (2.79 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ga atoms. N is bonded in an octahedral geometry to six equivalent Ba atoms.

Authors:
Publication Date:
Other Number(s):
mp-16859
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; Ba6Ga5N; Ba-Ga-N
OSTI Identifier:
1192209
DOI:
https://doi.org/10.17188/1192209

Citation Formats

The Materials Project. Materials Data on Ba6Ga5N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192209.
The Materials Project. Materials Data on Ba6Ga5N by Materials Project. United States. doi:https://doi.org/10.17188/1192209
The Materials Project. 2020. "Materials Data on Ba6Ga5N by Materials Project". United States. doi:https://doi.org/10.17188/1192209. https://www.osti.gov/servlets/purl/1192209. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192209,
title = {Materials Data on Ba6Ga5N by Materials Project},
author = {The Materials Project},
abstractNote = {Ba6Ga5N crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted single-bond geometry to five Ga and one N atom. There are a spread of Ba–Ga bond distances ranging from 3.50–3.72 Å. The Ba–N bond length is 2.77 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Ba and four Ga atoms. There are two shorter (2.74 Å) and two longer (2.79 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ga atoms. N is bonded in an octahedral geometry to six equivalent Ba atoms.},
doi = {10.17188/1192209},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}