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Title: Materials Data on Mg6VCo by Materials Project

Abstract

Mg6VCo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent V, and two equivalent Co atoms. There are a spread of Mg–Mg bond distances ranging from 2.80–3.13 Å. Both Mg–V bond lengths are 2.95 Å. There are one shorter (2.72 Å) and one longer (3.49 Å) Mg–Co bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. There are two shorter (2.89 Å) and four longer (2.94 Å) Mg–Mg bond lengths. Both Mg–Co bond lengths are 2.97 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent V, and two equivalent Co atoms to form a mixture of distorted corner, edge, and face-sharing MgMg8V2Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.82–3.14 Å. There are one shorter (2.82 Å) and one longer (3.38 Å) Mg–V bond lengths. Both Mg–Co bond lengths are 3.00 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent V atoms to form a mixture ofmore » distorted corner, edge, and face-sharing MgMg10V2 cuboctahedra. Both Mg–V bond lengths are 2.96 Å. V is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. Both V–Co bond lengths are 2.56 Å. Co is bonded in a 10-coordinate geometry to ten Mg and two equivalent V atoms.« less

Publication Date:
Other Number(s):
mp-1022082
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg6VCo; Co-Mg-V
OSTI Identifier:
1672064
DOI:
https://doi.org/10.17188/1672064

Citation Formats

The Materials Project. Materials Data on Mg6VCo by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1672064.
The Materials Project. Materials Data on Mg6VCo by Materials Project. United States. doi:https://doi.org/10.17188/1672064
The Materials Project. 2017. "Materials Data on Mg6VCo by Materials Project". United States. doi:https://doi.org/10.17188/1672064. https://www.osti.gov/servlets/purl/1672064. Pub date:Fri Apr 14 00:00:00 EDT 2017
@article{osti_1672064,
title = {Materials Data on Mg6VCo by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6VCo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent V, and two equivalent Co atoms. There are a spread of Mg–Mg bond distances ranging from 2.80–3.13 Å. Both Mg–V bond lengths are 2.95 Å. There are one shorter (2.72 Å) and one longer (3.49 Å) Mg–Co bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. There are two shorter (2.89 Å) and four longer (2.94 Å) Mg–Mg bond lengths. Both Mg–Co bond lengths are 2.97 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent V, and two equivalent Co atoms to form a mixture of distorted corner, edge, and face-sharing MgMg8V2Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.82–3.14 Å. There are one shorter (2.82 Å) and one longer (3.38 Å) Mg–V bond lengths. Both Mg–Co bond lengths are 3.00 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent V atoms to form a mixture of distorted corner, edge, and face-sharing MgMg10V2 cuboctahedra. Both Mg–V bond lengths are 2.96 Å. V is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. Both V–Co bond lengths are 2.56 Å. Co is bonded in a 10-coordinate geometry to ten Mg and two equivalent V atoms.},
doi = {10.17188/1672064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}