Materials Data on MgNi by Materials Project
MgNi crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted hexagonal planar geometry to six equivalent Mg and six equivalent Ni atoms. All Mg–Mg bond lengths are 2.94 Å. All Mg–Ni bond lengths are 2.48 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to seven Mg and nine equivalent Ni atoms. There are one shorter (2.89 Å) and three longer (3.10 Å) Mg–Mg bond lengths. There are a spread of Mg–Ni bond distances ranging from 2.88–2.96 Å. Ni is bonded to eight Mg and four equivalent Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiMg8Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å.
- 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:
- 1315900
- Report Number(s):
- mp-978288
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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