Materials Data on Ga3NO3 by Materials Project
Abstract
Ga3NO3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to one N3- and three O2- atoms to form corner-sharing GaNO3 tetrahedra. The Ga–N bond length is 1.86 Å. There is one shorter (1.89 Å) and two longer (1.92 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to one N3- and three O2- atoms to form corner-sharing GaNO3 tetrahedra. The Ga–N bond length is 1.83 Å. There is two shorter (1.90 Å) and one longer (1.92 Å) Ga–O bond length. In the third Ga3+ site, Ga3+ is bonded to one N3- and three O2- atoms to form corner-sharing GaNO3 tetrahedra. The Ga–N bond length is 1.84 Å. There is one shorter (1.89 Å) and two longer (1.91 Å) Ga–O bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Ga3+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Ga3+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planarmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-754929
- 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; Ga3NO3; Ga-N-O
- OSTI Identifier:
- 1289637
- DOI:
- https://doi.org/10.17188/1289637
Citation Formats
The Materials Project. Materials Data on Ga3NO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289637.
The Materials Project. Materials Data on Ga3NO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289637
The Materials Project. 2020.
"Materials Data on Ga3NO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289637. https://www.osti.gov/servlets/purl/1289637. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289637,
title = {Materials Data on Ga3NO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga3NO3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to one N3- and three O2- atoms to form corner-sharing GaNO3 tetrahedra. The Ga–N bond length is 1.86 Å. There is one shorter (1.89 Å) and two longer (1.92 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to one N3- and three O2- atoms to form corner-sharing GaNO3 tetrahedra. The Ga–N bond length is 1.83 Å. There is two shorter (1.90 Å) and one longer (1.92 Å) Ga–O bond length. In the third Ga3+ site, Ga3+ is bonded to one N3- and three O2- atoms to form corner-sharing GaNO3 tetrahedra. The Ga–N bond length is 1.84 Å. There is one shorter (1.89 Å) and two longer (1.91 Å) Ga–O bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Ga3+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Ga3+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ga3+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ga3+ atoms.},
doi = {10.17188/1289637},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}