Materials Data on Ca3(GaNi)4 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1187708· OSTI ID:1187708

The Materials Project

Ca3(NiGa)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Ga atoms. All Ca–Ni bond lengths are 3.07 Å. There are four shorter (3.04 Å) and four longer (3.50 Å) Ca–Ga bond lengths. Ni is bonded in a 10-coordinate geometry to three equivalent Ca, three equivalent Ni, and four equivalent Ga atoms. All Ni–Ni bond lengths are 2.57 Å. There are one shorter (2.34 Å) and three longer (2.47 Å) Ni–Ga bond lengths. Ga is bonded in a 7-coordinate geometry to six equivalent Ca and four equivalent 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: 1187708
• Report Number(s): mp-11285
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ca3(GaNi)4
Ca-Ga-Ni