Materials Data on CeMg2 by Materials Project

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

DOI:https://doi.org/10.17188/1699883· OSTI ID:1699883

CeMg2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to seven equivalent Mg and five equivalent Ce atoms to form distorted MgCe5Mg7 cuboctahedra that share corners with six equivalent CeCe2Mg10 cuboctahedra, corners with twelve equivalent MgCe5Mg7 cuboctahedra, edges with four equivalent CeCe2Mg10 cuboctahedra, edges with fourteen equivalent MgCe5Mg7 cuboctahedra, faces with eight equivalent CeCe2Mg10 cuboctahedra, and faces with twelve equivalent MgCe5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.46 Å. There are a spread of Mg–Ce bond distances ranging from 3.31–3.48 Å. Ce is bonded to ten equivalent Mg and two equivalent Ce atoms to form CeCe2Mg10 cuboctahedra that share corners with six equivalent CeCe2Mg10 cuboctahedra, corners with twelve equivalent MgCe5Mg7 cuboctahedra, edges with eight equivalent MgCe5Mg7 cuboctahedra, edges with ten equivalent CeCe2Mg10 cuboctahedra, faces with four equivalent CeCe2Mg10 cuboctahedra, and faces with sixteen equivalent MgCe5Mg7 cuboctahedra. Both Ce–Ce bond lengths are 3.12 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: 1699883
• Report Number(s): mp-1039548
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Mg
CeMg2
crystal structure