U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgNi by Materials Project
Abstract
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-978288
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; MgNi; Mg-Ni
- OSTI Identifier:
- 1315900
- DOI:
- https://doi.org/10.17188/1315900
Citation Formats
The Materials Project. Materials Data on MgNi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315900.
The Materials Project. Materials Data on MgNi by Materials Project. United States. doi:https://doi.org/10.17188/1315900
The Materials Project. 2020.
"Materials Data on MgNi by Materials Project". United States. doi:https://doi.org/10.17188/1315900. https://www.osti.gov/servlets/purl/1315900. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1315900,
title = {Materials Data on MgNi by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1315900},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}