Materials Data on MgCd by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1663772· OSTI ID:1663772

MgCd crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven equivalent Cd atoms to form distorted MgMg5Cd7 cuboctahedra that share corners with four equivalent CdMg7Cd5 cuboctahedra, corners with fourteen equivalent MgMg5Cd7 cuboctahedra, edges with eight equivalent MgMg5Cd7 cuboctahedra, edges with ten equivalent CdMg7Cd5 cuboctahedra, faces with eight equivalent MgMg5Cd7 cuboctahedra, and faces with twelve equivalent CdMg7Cd5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.17–3.22 Å. There are a spread of Mg–Cd bond distances ranging from 3.08–3.13 Å. Cd is bonded to seven equivalent Mg and five equivalent Cd atoms to form distorted CdMg7Cd5 cuboctahedra that share corners with four equivalent MgMg5Cd7 cuboctahedra, corners with fourteen equivalent CdMg7Cd5 cuboctahedra, edges with eight equivalent CdMg7Cd5 cuboctahedra, edges with ten equivalent MgMg5Cd7 cuboctahedra, faces with eight equivalent CdMg7Cd5 cuboctahedra, and faces with twelve equivalent MgMg5Cd7 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.15–3.22 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: 1663772
• Report Number(s): mp-1038767
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cd-Mg
MgCd
crystal structure