Materials Data on MgNi3 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1690597· OSTI ID:1690597

MgNi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni atoms to form MgNi12 cuboctahedra that share corners with twelve equivalent MgNi12 cuboctahedra, edges with twenty-four equivalent NiMg4Ni8 cuboctahedra, faces with six equivalent MgNi12 cuboctahedra, and faces with twelve equivalent NiMg4Ni8 cuboctahedra. All Mg–Ni bond lengths are 2.58 Å. Ni is bonded to four equivalent Mg and eight equivalent Ni atoms to form distorted NiMg4Ni8 cuboctahedra that share corners with twelve equivalent NiMg4Ni8 cuboctahedra, edges with eight equivalent MgNi12 cuboctahedra, edges with sixteen equivalent NiMg4Ni8 cuboctahedra, faces with four equivalent MgNi12 cuboctahedra, and faces with fourteen equivalent NiMg4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.58 Å.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1690597
• Report Number(s): mp-1063661
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mg-Ni
MgNi3
crystal structure