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Title: 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 » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1099089
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; Mg14CoNi; Co-Mg-Ni
OSTI Identifier:
1738353
DOI:
https://doi.org/10.17188/1738353

Citation Formats

The Materials Project. Materials Data on Mg14CoNi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738353.
The Materials Project. Materials Data on Mg14CoNi by Materials Project. United States. doi:https://doi.org/10.17188/1738353
The Materials Project. 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},
author = {The 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}
}