U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2GaGeN by Materials Project
Abstract
Ba2GaGeN crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted L-shaped geometry to four equivalent Ge and two equivalent N atoms. There are a spread of Ba–Ge bond distances ranging from 3.56–3.78 Å. Both Ba–N bond lengths are 2.89 Å. In the second Ba site, Ba is bonded in a 3-coordinate geometry to three equivalent Ge and three equivalent N atoms. There are two shorter (3.60 Å) and one longer (3.77 Å) Ba–Ge bond lengths. There are one shorter (2.72 Å) and two longer (2.95 Å) Ba–N bond lengths. Ga is bonded in a distorted single-bond geometry to two equivalent Ge and one N atom. Both Ga–Ge bond lengths are 2.54 Å. The Ga–N bond length is 1.90 Å. Ge is bonded in a 2-coordinate geometry to seven Ba and two equivalent Ga atoms. N is bonded to five Ba and one Ga atom to form distorted edge-sharing NBa5Ga octahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-570245
- 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; Ba2GaGeN; Ba-Ga-Ge-N
- OSTI Identifier:
- 1275601
- DOI:
- https://doi.org/10.17188/1275601
Citation Formats
The Materials Project. Materials Data on Ba2GaGeN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275601.
The Materials Project. Materials Data on Ba2GaGeN by Materials Project. United States. doi:https://doi.org/10.17188/1275601
The Materials Project. 2020.
"Materials Data on Ba2GaGeN by Materials Project". United States. doi:https://doi.org/10.17188/1275601. https://www.osti.gov/servlets/purl/1275601. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1275601,
title = {Materials Data on Ba2GaGeN by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2GaGeN crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted L-shaped geometry to four equivalent Ge and two equivalent N atoms. There are a spread of Ba–Ge bond distances ranging from 3.56–3.78 Å. Both Ba–N bond lengths are 2.89 Å. In the second Ba site, Ba is bonded in a 3-coordinate geometry to three equivalent Ge and three equivalent N atoms. There are two shorter (3.60 Å) and one longer (3.77 Å) Ba–Ge bond lengths. There are one shorter (2.72 Å) and two longer (2.95 Å) Ba–N bond lengths. Ga is bonded in a distorted single-bond geometry to two equivalent Ge and one N atom. Both Ga–Ge bond lengths are 2.54 Å. The Ga–N bond length is 1.90 Å. Ge is bonded in a 2-coordinate geometry to seven Ba and two equivalent Ga atoms. N is bonded to five Ba and one Ga atom to form distorted edge-sharing NBa5Ga octahedra.},
doi = {10.17188/1275601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}