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Title: Materials Data on MgCo3C by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195549· OSTI ID:1195549

MgCCo3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Co atoms to form MgCo12 cuboctahedra that share corners with twelve equivalent MgCo12 cuboctahedra, faces with six equivalent MgCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. All Mg–Co bond lengths are 2.67 Å. Co is bonded in a distorted linear geometry to four equivalent Mg and two equivalent C atoms. Both Co–C bond lengths are 1.89 Å. C is bonded to six equivalent Co atoms to form CCo6 octahedra that share corners with six equivalent CCo6 octahedra and faces with eight equivalent MgCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1195549
Report Number(s):
mp-20424
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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