Materials Data on NaGaH4 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1199804· OSTI ID:1199804

The Materials Project

NaGaH4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight H1- atoms. There are a spread of Na–H bond distances ranging from 2.27–2.71 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. All Ga–H bond lengths are 1.60 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted bent 150 degrees geometry to two equivalent Na1+ and one Ga3+ atom.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1199804
• Report Number(s): mp-23918
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NaGaH4
Ga-H-Na