Materials Data on Ba(GaH)2 by Materials Project
Abstract
Ba(GaH)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ba(GaH)2 sheet oriented in the (0, 0, 1) direction. Ba is bonded in a distorted hexagonal planar geometry to six equivalent H atoms. All Ba–H bond lengths are 2.71 Å. Ga is bonded in a single-bond geometry to one H atom. The Ga–H bond length is 1.69 Å. H is bonded to three equivalent Ba and one Ga atom to form a mixture of distorted corner and edge-sharing HBa3Ga tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1206799
- 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; Ba(GaH)2; Ba-Ga-H
- OSTI Identifier:
- 1752841
- DOI:
- https://doi.org/10.17188/1752841
Citation Formats
The Materials Project. Materials Data on Ba(GaH)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1752841.
The Materials Project. Materials Data on Ba(GaH)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752841
The Materials Project. 2020.
"Materials Data on Ba(GaH)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752841. https://www.osti.gov/servlets/purl/1752841. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1752841,
title = {Materials Data on Ba(GaH)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(GaH)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ba(GaH)2 sheet oriented in the (0, 0, 1) direction. Ba is bonded in a distorted hexagonal planar geometry to six equivalent H atoms. All Ba–H bond lengths are 2.71 Å. Ga is bonded in a single-bond geometry to one H atom. The Ga–H bond length is 1.69 Å. H is bonded to three equivalent Ba and one Ga atom to form a mixture of distorted corner and edge-sharing HBa3Ga tetrahedra.},
doi = {10.17188/1752841},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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