Materials Data on MgCo2 by Materials Project
MgCo2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Mg–Co bond distances ranging from 2.81–2.83 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Mg and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoMg6Co6 cuboctahedra. All Co–Co bond lengths are 2.43 Å. In the second Co site, Co is bonded to six equivalent Mg and six Co atoms to form a mixture of corner, edge, and face-sharing CoMg6Co6 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.47 Å) Co–Co bond lengths.
- 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:
- 1310240
- Report Number(s):
- mp-864931
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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