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Title: Materials Data on Mn3Ga by Materials Project

Abstract

Mn3Ga is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Ga atoms to form distorted MnMn8Ga4 cuboctahedra that share corners with twelve equivalent MnMn8Ga4 cuboctahedra, edges with eight equivalent GaMn12 cuboctahedra, edges with sixteen MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with fourteen MnMn8Ga4 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.67 Å) Mn–Mn bond lengths. All Mn–Ga bond lengths are 2.55 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Ga atoms to form MnMn8Ga4 cuboctahedra that share corners with four equivalent MnMn8Ga4 cuboctahedra, corners with eight equivalent GaMn12 cuboctahedra, edges with twenty-four MnMn8Ga4 cuboctahedra, faces with six equivalent GaMn12 cuboctahedra, and faces with twelve MnMn8Ga4 cuboctahedra. All Mn–Ga bond lengths are 2.67 Å. Ga is bonded to twelve Mn atoms to form GaMn12 cuboctahedra that share corners with four equivalent GaMn12 cuboctahedra, corners with eight equivalent MnMn8Ga4 cuboctahedra, edges with eight equivalent GaMn12 cuboctahedra, edges with sixteen equivalent MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, andmore » faces with fourteen MnMn8Ga4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1210627
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; Mn3Ga; Ga-Mn
OSTI Identifier:
1655310
DOI:
https://doi.org/10.17188/1655310

Citation Formats

The Materials Project. Materials Data on Mn3Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655310.
The Materials Project. Materials Data on Mn3Ga by Materials Project. United States. doi:https://doi.org/10.17188/1655310
The Materials Project. 2020. "Materials Data on Mn3Ga by Materials Project". United States. doi:https://doi.org/10.17188/1655310. https://www.osti.gov/servlets/purl/1655310. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1655310,
title = {Materials Data on Mn3Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3Ga is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Ga atoms to form distorted MnMn8Ga4 cuboctahedra that share corners with twelve equivalent MnMn8Ga4 cuboctahedra, edges with eight equivalent GaMn12 cuboctahedra, edges with sixteen MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with fourteen MnMn8Ga4 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.67 Å) Mn–Mn bond lengths. All Mn–Ga bond lengths are 2.55 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Ga atoms to form MnMn8Ga4 cuboctahedra that share corners with four equivalent MnMn8Ga4 cuboctahedra, corners with eight equivalent GaMn12 cuboctahedra, edges with twenty-four MnMn8Ga4 cuboctahedra, faces with six equivalent GaMn12 cuboctahedra, and faces with twelve MnMn8Ga4 cuboctahedra. All Mn–Ga bond lengths are 2.67 Å. Ga is bonded to twelve Mn atoms to form GaMn12 cuboctahedra that share corners with four equivalent GaMn12 cuboctahedra, corners with eight equivalent MnMn8Ga4 cuboctahedra, edges with eight equivalent GaMn12 cuboctahedra, edges with sixteen equivalent MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with fourteen MnMn8Ga4 cuboctahedra.},
doi = {10.17188/1655310},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}