Materials Data on Mn2GaCu3 by Materials Project
Abstract
Mn2Cu3Ga is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to four equivalent Mn, nine equivalent Cu, and three equivalent Ga atoms. There are one shorter (2.97 Å) and three longer (2.98 Å) Mn–Mn bond lengths. There are three shorter (2.84 Å) and six longer (2.85 Å) Mn–Cu bond lengths. All Mn–Ga bond lengths are 2.85 Å. Cu is bonded to six equivalent Mn, four equivalent Cu, and two equivalent Ga atoms to form CuMn6Ga2Cu4 cuboctahedra that share corners with four equivalent GaMn6Cu6 cuboctahedra, corners with fourteen equivalent CuMn6Ga2Cu4 cuboctahedra, edges with six equivalent CuMn6Ga2Cu4 cuboctahedra, faces with six equivalent GaMn6Cu6 cuboctahedra, and faces with twelve equivalent CuMn6Ga2Cu4 cuboctahedra. All Cu–Cu bond lengths are 2.43 Å. Both Cu–Ga bond lengths are 2.43 Å. Ga is bonded to six equivalent Mn and six equivalent Cu atoms to form GaMn6Cu6 cuboctahedra that share corners with six equivalent GaMn6Cu6 cuboctahedra, corners with twelve equivalent CuMn6Ga2Cu4 cuboctahedra, edges with six equivalent GaMn6Cu6 cuboctahedra, and faces with eighteen equivalent CuMn6Ga2Cu4 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1221894
- 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; Mn2GaCu3; Cu-Ga-Mn
- OSTI Identifier:
- 1728933
- DOI:
- https://doi.org/10.17188/1728933
Citation Formats
The Materials Project. Materials Data on Mn2GaCu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1728933.
The Materials Project. Materials Data on Mn2GaCu3 by Materials Project. United States. doi:https://doi.org/10.17188/1728933
The Materials Project. 2020.
"Materials Data on Mn2GaCu3 by Materials Project". United States. doi:https://doi.org/10.17188/1728933. https://www.osti.gov/servlets/purl/1728933. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1728933,
title = {Materials Data on Mn2GaCu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2Cu3Ga is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to four equivalent Mn, nine equivalent Cu, and three equivalent Ga atoms. There are one shorter (2.97 Å) and three longer (2.98 Å) Mn–Mn bond lengths. There are three shorter (2.84 Å) and six longer (2.85 Å) Mn–Cu bond lengths. All Mn–Ga bond lengths are 2.85 Å. Cu is bonded to six equivalent Mn, four equivalent Cu, and two equivalent Ga atoms to form CuMn6Ga2Cu4 cuboctahedra that share corners with four equivalent GaMn6Cu6 cuboctahedra, corners with fourteen equivalent CuMn6Ga2Cu4 cuboctahedra, edges with six equivalent CuMn6Ga2Cu4 cuboctahedra, faces with six equivalent GaMn6Cu6 cuboctahedra, and faces with twelve equivalent CuMn6Ga2Cu4 cuboctahedra. All Cu–Cu bond lengths are 2.43 Å. Both Cu–Ga bond lengths are 2.43 Å. Ga is bonded to six equivalent Mn and six equivalent Cu atoms to form GaMn6Cu6 cuboctahedra that share corners with six equivalent GaMn6Cu6 cuboctahedra, corners with twelve equivalent CuMn6Ga2Cu4 cuboctahedra, edges with six equivalent GaMn6Cu6 cuboctahedra, and faces with eighteen equivalent CuMn6Ga2Cu4 cuboctahedra.},
doi = {10.17188/1728933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}