Materials Data on BaGaSiH by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1325050· OSTI ID:1325050

The Materials Project

BaGaSiH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si4- and three equivalent H1- atoms. All Ba–Si bond lengths are 3.45 Å. All Ba–H bond lengths are 2.57 Å. Ga3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one H1- atom. All Ga–Si bond lengths are 2.53 Å. The Ga–H bond length is 1.76 Å. Si4- is bonded in a 6-coordinate geometry to three equivalent Ba2+ and three equivalent Ga3+ atoms. H1- is bonded to three equivalent Ba2+ and one Ga3+ atom to form corner-sharing HBa3Ga tetrahedra.

• 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: 1325050
• Report Number(s): mp-1008506
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaGaSiH
Ba-Ga-H-Si