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Title: Materials Data on Ba6Ge2N7 by Materials Project

Abstract

Ba6Ge2N7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to six N+2.86- atoms to form a mixture of distorted edge, face, and corner-sharing BaN6 pentagonal pyramids. There are a spread of Ba–N bond distances ranging from 2.73–3.12 Å. Ge4+ is bonded in a trigonal planar geometry to three equivalent N+2.86- atoms. All Ge–N bond lengths are 1.84 Å. There are two inequivalent N+2.86- sites. In the first N+2.86- site, N+2.86- is bonded in a 6-coordinate geometry to five equivalent Ba2+ and one Ge4+ atom. In the second N+2.86- site, N+2.86- is bonded in an octahedral geometry to six equivalent Ba2+ atoms.

Publication Date:
Other Number(s):
mp-1228029
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; Ba6Ge2N7; Ba-Ge-N
OSTI Identifier:
1722407
DOI:
https://doi.org/10.17188/1722407

Citation Formats

The Materials Project. Materials Data on Ba6Ge2N7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722407.
The Materials Project. Materials Data on Ba6Ge2N7 by Materials Project. United States. doi:https://doi.org/10.17188/1722407
The Materials Project. 2020. "Materials Data on Ba6Ge2N7 by Materials Project". United States. doi:https://doi.org/10.17188/1722407. https://www.osti.gov/servlets/purl/1722407. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722407,
title = {Materials Data on Ba6Ge2N7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba6Ge2N7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to six N+2.86- atoms to form a mixture of distorted edge, face, and corner-sharing BaN6 pentagonal pyramids. There are a spread of Ba–N bond distances ranging from 2.73–3.12 Å. Ge4+ is bonded in a trigonal planar geometry to three equivalent N+2.86- atoms. All Ge–N bond lengths are 1.84 Å. There are two inequivalent N+2.86- sites. In the first N+2.86- site, N+2.86- is bonded in a 6-coordinate geometry to five equivalent Ba2+ and one Ge4+ atom. In the second N+2.86- site, N+2.86- is bonded in an octahedral geometry to six equivalent Ba2+ atoms.},
doi = {10.17188/1722407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}