Materials Data on Zr3Ga2 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205053· OSTI ID:1205053

The Materials Project

Ga2Zr3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a square co-planar geometry to four equivalent Ga atoms. All Zr–Ga bond lengths are 2.93 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are two shorter (2.79 Å) and four longer (2.91 Å) Zr–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to eight Zr and one Ga atom. The Ga–Ga bond length is 2.57 Å.

• 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: 1205053
• Report Number(s): mp-30684
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Zr3Ga2
Ga-Zr