U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg14GaCo by Materials Project
Abstract
Mg14CoGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Co atoms to form distorted MgMg10Co2 cuboctahedra that share corners with four equivalent GaMg12 cuboctahedra, corners with fourteen MgMg10Co2 cuboctahedra, edges with two equivalent CoMg12 cuboctahedra, edges with eight MgMg10Co2 cuboctahedra, faces with two equivalent CoMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.16 Å. Both Mg–Co bond lengths are 3.13 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent CoMg12 cuboctahedra, corners with fourteen MgMg10Co2 cuboctahedra, edges with two equivalent GaMg12 cuboctahedra, edges with eight MgMg10Ga2 cuboctahedra, faces with two equivalent GaMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.18 Å. Both Mg–Ga bond lengths are 3.13 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Co, and one Ga atom. There are a spread of Mg–Mg bond distances rangingmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1028408
- 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; Mg14GaCo; Co-Ga-Mg
- OSTI Identifier:
- 1651564
- DOI:
- https://doi.org/10.17188/1651564
Citation Formats
The Materials Project. Materials Data on Mg14GaCo by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1651564.
The Materials Project. Materials Data on Mg14GaCo by Materials Project. United States. doi:https://doi.org/10.17188/1651564
The Materials Project. 2017.
"Materials Data on Mg14GaCo by Materials Project". United States. doi:https://doi.org/10.17188/1651564. https://www.osti.gov/servlets/purl/1651564. Pub date:Thu May 18 00:00:00 EDT 2017
@article{osti_1651564,
title = {Materials Data on Mg14GaCo by Materials Project},
author = {The Materials Project},
abstractNote = {Mg14CoGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Co atoms to form distorted MgMg10Co2 cuboctahedra that share corners with four equivalent GaMg12 cuboctahedra, corners with fourteen MgMg10Co2 cuboctahedra, edges with two equivalent CoMg12 cuboctahedra, edges with eight MgMg10Co2 cuboctahedra, faces with two equivalent CoMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.16 Å. Both Mg–Co bond lengths are 3.13 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent CoMg12 cuboctahedra, corners with fourteen MgMg10Co2 cuboctahedra, edges with two equivalent GaMg12 cuboctahedra, edges with eight MgMg10Ga2 cuboctahedra, faces with two equivalent GaMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.18 Å. Both Mg–Ga bond lengths are 3.13 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Co, and one Ga atom. There are a spread of Mg–Mg bond distances ranging from 2.98–3.28 Å. The Mg–Co bond length is 2.95 Å. The Mg–Ga bond length is 3.11 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, edges with twelve MgMg10Co2 cuboctahedra, faces with three equivalent CoMg12 cuboctahedra, faces with three equivalent GaMg12 cuboctahedra, and faces with eight MgMg10Co2 cuboctahedra. Co is bonded to twelve Mg atoms to form CoMg12 cuboctahedra that share corners with six equivalent CoMg12 cuboctahedra, corners with twelve equivalent MgMg10Ga2 cuboctahedra, edges with six equivalent MgMg10Co2 cuboctahedra, faces with two equivalent GaMg12 cuboctahedra, and faces with twelve MgMg10Co2 cuboctahedra. Ga is bonded to twelve Mg atoms to form GaMg12 cuboctahedra that share corners with six equivalent GaMg12 cuboctahedra, corners with twelve equivalent MgMg10Co2 cuboctahedra, edges with six equivalent MgMg10Ga2 cuboctahedra, faces with two equivalent CoMg12 cuboctahedra, and faces with twelve MgMg10Ga2 cuboctahedra.},
doi = {10.17188/1651564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}