U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3GaN2 by Materials Project
Abstract
Li3GaN2 is alpha bismuth trifluoride-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Li1+ is bonded to four N3- atoms to form LiN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra, corners with twelve equivalent LiN4 tetrahedra, edges with two equivalent GaN4 tetrahedra, and edges with four equivalent LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.09–2.17 Å. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra, corners with twelve equivalent LiN4 tetrahedra, and edges with six equivalent LiN4 tetrahedra. There is one shorter (1.98 Å) and three longer (2.01 Å) Ga–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a body-centered cubic geometry to six equivalent Li1+ and two equivalent Ga3+ atoms. In the second N3- site, N3- is bonded in a body-centered cubic geometry to six equivalent Li1+ and two equivalent Ga3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-3887
- 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; Li3GaN2; Ga-Li-N
- OSTI Identifier:
- 1207576
- DOI:
- https://doi.org/10.17188/1207576
Citation Formats
The Materials Project. Materials Data on Li3GaN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207576.
The Materials Project. Materials Data on Li3GaN2 by Materials Project. United States. doi:https://doi.org/10.17188/1207576
The Materials Project. 2020.
"Materials Data on Li3GaN2 by Materials Project". United States. doi:https://doi.org/10.17188/1207576. https://www.osti.gov/servlets/purl/1207576. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1207576,
title = {Materials Data on Li3GaN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3GaN2 is alpha bismuth trifluoride-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Li1+ is bonded to four N3- atoms to form LiN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra, corners with twelve equivalent LiN4 tetrahedra, edges with two equivalent GaN4 tetrahedra, and edges with four equivalent LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.09–2.17 Å. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra, corners with twelve equivalent LiN4 tetrahedra, and edges with six equivalent LiN4 tetrahedra. There is one shorter (1.98 Å) and three longer (2.01 Å) Ga–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a body-centered cubic geometry to six equivalent Li1+ and two equivalent Ga3+ atoms. In the second N3- site, N3- is bonded in a body-centered cubic geometry to six equivalent Li1+ and two equivalent Ga3+ atoms.},
doi = {10.17188/1207576},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}