Materials Data on GaNi2 by Materials Project

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

DOI:https://doi.org/10.17188/1275996· OSTI ID:1275996

The Materials Project

NiNiGa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent Ga atoms. There are two shorter (2.51 Å) and six longer (2.65 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.65 Å. In the second Ni site, Ni is bonded to six equivalent Ni and five equivalent Ga atoms to form a mixture of distorted face and corner-sharing NiGa5Ni6 trigonal bipyramids. There are three shorter (2.34 Å) and two longer (2.51 Å) Ni–Ga bond lengths. Ga is bonded in a 11-coordinate geometry to eleven Ni atoms.

• 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: 1275996
• Report Number(s): mp-570904
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
GaNi2
Ga-Ni