U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg14CoNi by Materials Project
Abstract
Mg14CoNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.27 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.28 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to one Co and one Ni atom. The Mg–Co bond length is 2.72 Å. The Mg–Ni bond length is 2.72 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.35 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to three Mg, one Co, and one Ni atom. The Mg–Co bond length is 2.72 Å. The Mg–Ni bond length is 2.73 Å. In the sixth Mg site, Mg is bonded inmore »
- Publication Date:
- Other Number(s):
- mp-1099089
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Co-Mg-Ni; Mg14CoNi; crystal structure
- OSTI Identifier:
- 1738353
- DOI:
- https://doi.org/10.17188/1738353
Citation Formats
Materials Data on Mg14CoNi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738353.
Materials Data on Mg14CoNi by Materials Project. United States. doi:https://doi.org/10.17188/1738353
2020.
"Materials Data on Mg14CoNi by Materials Project". United States. doi:https://doi.org/10.17188/1738353. https://www.osti.gov/servlets/purl/1738353. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1738353,
title = {Materials Data on Mg14CoNi by Materials Project},
abstractNote = {Mg14CoNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.27 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.28 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to one Co and one Ni atom. The Mg–Co bond length is 2.72 Å. The Mg–Ni bond length is 2.72 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.35 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to three Mg, one Co, and one Ni atom. The Mg–Co bond length is 2.72 Å. The Mg–Ni bond length is 2.73 Å. In the sixth Mg site, Mg is bonded in a distorted single-bond geometry to three Mg and one Co atom. The Mg–Co bond length is 2.88 Å. In the seventh Mg site, Mg is bonded in a distorted single-bond geometry to three Mg and one Ni atom. The Mg–Ni bond length is 2.88 Å. Co is bonded in a 12-coordinate geometry to eight Mg atoms. Ni is bonded in a 8-coordinate geometry to eight Mg atoms.},
doi = {10.17188/1738353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}