U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GaN2OF5 by Materials Project
Abstract
GaN2OF5 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two GaN2OF5 sheets oriented in the (0, 1, 0) direction. Ga3+ is bonded in a distorted trigonal bipyramidal geometry to one O2- and four F1- atoms. The Ga–O bond length is 1.88 Å. There is two shorter (1.86 Å) and two longer (1.97 Å) Ga–F bond length. N2+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.69 Å) and one longer (1.92 Å) N–F bond length. O2- is bonded in a T-shaped geometry to one Ga3+ and two equivalent F1- atoms. Both O–F bond lengths are 1.81 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent N2+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Ga3+ and one N2+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one O2- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1197441
- 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; GaN2OF5; F-Ga-N-O
- OSTI Identifier:
- 1689780
- DOI:
- https://doi.org/10.17188/1689780
Citation Formats
The Materials Project. Materials Data on GaN2OF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1689780.
The Materials Project. Materials Data on GaN2OF5 by Materials Project. United States. doi:https://doi.org/10.17188/1689780
The Materials Project. 2020.
"Materials Data on GaN2OF5 by Materials Project". United States. doi:https://doi.org/10.17188/1689780. https://www.osti.gov/servlets/purl/1689780. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1689780,
title = {Materials Data on GaN2OF5 by Materials Project},
author = {The Materials Project},
abstractNote = {GaN2OF5 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two GaN2OF5 sheets oriented in the (0, 1, 0) direction. Ga3+ is bonded in a distorted trigonal bipyramidal geometry to one O2- and four F1- atoms. The Ga–O bond length is 1.88 Å. There is two shorter (1.86 Å) and two longer (1.97 Å) Ga–F bond length. N2+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.69 Å) and one longer (1.92 Å) N–F bond length. O2- is bonded in a T-shaped geometry to one Ga3+ and two equivalent F1- atoms. Both O–F bond lengths are 1.81 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent N2+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Ga3+ and one N2+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one O2- atom.},
doi = {10.17188/1689780},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}