Materials Data on Mg3Cr by Materials Project

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

DOI:https://doi.org/10.17188/1740842· OSTI ID:1740842

Mg3Cr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Cr atoms to form distorted MgMg8Cr4 cuboctahedra that share corners with four equivalent CrMg12 cuboctahedra, corners with fourteen equivalent MgMg8Cr4 cuboctahedra, edges with six equivalent CrMg12 cuboctahedra, edges with twelve equivalent MgMg8Cr4 cuboctahedra, faces with four equivalent CrMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Cr4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.17 Å. There are two shorter (3.04 Å) and two longer (3.09 Å) Mg–Cr bond lengths. Cr is bonded to twelve equivalent Mg atoms to form CrMg12 cuboctahedra that share corners with six equivalent CrMg12 cuboctahedra, corners with twelve equivalent MgMg8Cr4 cuboctahedra, edges with eighteen equivalent MgMg8Cr4 cuboctahedra, faces with eight equivalent CrMg12 cuboctahedra, and faces with twelve equivalent MgMg8Cr4 cuboctahedra.

• 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: 1740842
• Report Number(s): mp-1185788
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cr-Mg
Mg3Cr
crystal structure