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Title: Materials Data on Mn3Ga by Materials Project

Abstract

Mn3Ga is beta Cu3Ti-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three 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 four equivalent GaMn12 cuboctahedra, corners with fourteen MnMn8Ga4 cuboctahedra, edges with six equivalent GaMn12 cuboctahedra, edges with twelve MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with sixteen MnMn8Ga4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.45–2.70 Å. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded to eight Mn and four equivalent Ga atoms to form distorted MnMn8Ga4 cuboctahedra that share corners with four equivalent GaMn12 cuboctahedra, corners with fourteen MnMn8Ga4 cuboctahedra, edges with six equivalent GaMn12 cuboctahedra, edges with twelve MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with sixteen MnMn8Ga4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.45–2.69 Å. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Ga bond lengths. In the third Mn site, Mn is bonded to eight Mnmore » and four equivalent Ga atoms to form distorted MnMn8Ga4 cuboctahedra that share corners with four equivalent GaMn12 cuboctahedra, corners with fourteen MnMn8Ga4 cuboctahedra, edges with six equivalent GaMn12 cuboctahedra, edges with twelve MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with sixteen MnMn8Ga4 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Ga bond lengths. Ga is bonded to twelve Mn atoms to form GaMn12 cuboctahedra that share corners with six equivalent GaMn12 cuboctahedra, corners with twelve MnMn8Ga4 cuboctahedra, edges with eighteen MnMn8Ga4 cuboctahedra, faces with eight equivalent GaMn12 cuboctahedra, and faces with twelve MnMn8Ga4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1078584
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; Mn3Ga; Ga-Mn
OSTI Identifier:
1685092
DOI:
https://doi.org/10.17188/1685092

Citation Formats

The Materials Project. Materials Data on Mn3Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685092.
The Materials Project. Materials Data on Mn3Ga by Materials Project. United States. doi:https://doi.org/10.17188/1685092
The Materials Project. 2020. "Materials Data on Mn3Ga by Materials Project". United States. doi:https://doi.org/10.17188/1685092. https://www.osti.gov/servlets/purl/1685092. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1685092,
title = {Materials Data on Mn3Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3Ga is beta Cu3Ti-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three 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 four equivalent GaMn12 cuboctahedra, corners with fourteen MnMn8Ga4 cuboctahedra, edges with six equivalent GaMn12 cuboctahedra, edges with twelve MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with sixteen MnMn8Ga4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.45–2.70 Å. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded to eight Mn and four equivalent Ga atoms to form distorted MnMn8Ga4 cuboctahedra that share corners with four equivalent GaMn12 cuboctahedra, corners with fourteen MnMn8Ga4 cuboctahedra, edges with six equivalent GaMn12 cuboctahedra, edges with twelve MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with sixteen MnMn8Ga4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.45–2.69 Å. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Ga bond lengths. In the third Mn site, Mn is bonded to eight Mn and four equivalent Ga atoms to form distorted MnMn8Ga4 cuboctahedra that share corners with four equivalent GaMn12 cuboctahedra, corners with fourteen MnMn8Ga4 cuboctahedra, edges with six equivalent GaMn12 cuboctahedra, edges with twelve MnMn8Ga4 cuboctahedra, faces with four equivalent GaMn12 cuboctahedra, and faces with sixteen MnMn8Ga4 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Ga bond lengths. Ga is bonded to twelve Mn atoms to form GaMn12 cuboctahedra that share corners with six equivalent GaMn12 cuboctahedra, corners with twelve MnMn8Ga4 cuboctahedra, edges with eighteen MnMn8Ga4 cuboctahedra, faces with eight equivalent GaMn12 cuboctahedra, and faces with twelve MnMn8Ga4 cuboctahedra.},
doi = {10.17188/1685092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}