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Title: Materials Data on GaH4NF4 by Materials Project

Abstract

GaF4NH4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four ammonium molecules and two GaF4 sheets oriented in the (0, 0, 1) direction. In each GaF4 sheet, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is two shorter (1.87 Å) and four longer (1.95 Å) Ga–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ga3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom.

Publication Date:
Other Number(s):
mp-24091
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; GaH4NF4; F-Ga-H-N
OSTI Identifier:
1199904
DOI:
https://doi.org/10.17188/1199904

Citation Formats

The Materials Project. Materials Data on GaH4NF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199904.
The Materials Project. Materials Data on GaH4NF4 by Materials Project. United States. doi:https://doi.org/10.17188/1199904
The Materials Project. 2020. "Materials Data on GaH4NF4 by Materials Project". United States. doi:https://doi.org/10.17188/1199904. https://www.osti.gov/servlets/purl/1199904. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199904,
title = {Materials Data on GaH4NF4 by Materials Project},
author = {The Materials Project},
abstractNote = {GaF4NH4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four ammonium molecules and two GaF4 sheets oriented in the (0, 0, 1) direction. In each GaF4 sheet, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is two shorter (1.87 Å) and four longer (1.95 Å) Ga–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ga3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom.},
doi = {10.17188/1199904},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}