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Title: Materials Data on Mg3Cr by Materials Project

Abstract

Mg3Cr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Cr atoms to form MgMg8Cr4 cuboctahedra that share corners with four equivalent MgMg8Cr4 cuboctahedra, corners with eight equivalent CrMg12 cuboctahedra, edges with twenty-four MgMg8Cr4 cuboctahedra, faces with six equivalent CrMg12 cuboctahedra, and faces with twelve MgMg8Cr4 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. All Mg–Cr bond lengths are 3.07 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Cr atoms to form MgMg8Cr4 cuboctahedra that share corners with twelve equivalent MgMg8Cr4 cuboctahedra, edges with eight equivalent CrMg12 cuboctahedra, edges with sixteen MgMg8Cr4 cuboctahedra, faces with four equivalent CrMg12 cuboctahedra, and faces with fourteen MgMg8Cr4 cuboctahedra. All Mg–Mg bond lengths are 3.07 Å. All Mg–Cr bond lengths are 3.08 Å. Cr is bonded to twelve Mg atoms to form CrMg12 cuboctahedra that share corners with four equivalent CrMg12 cuboctahedra, corners with eight equivalent MgMg8Cr4 cuboctahedra, edges with eight equivalent CrMg12 cuboctahedra, edges with sixteen equivalent MgMg8Cr4 cuboctahedra, faces with four equivalent CrMg12 cuboctahedra, and faces withmore » fourteen MgMg8Cr4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-978277
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; Mg3Cr; Cr-Mg
OSTI Identifier:
1315892
DOI:
https://doi.org/10.17188/1315892

Citation Formats

The Materials Project. Materials Data on Mg3Cr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315892.
The Materials Project. Materials Data on Mg3Cr by Materials Project. United States. doi:https://doi.org/10.17188/1315892
The Materials Project. 2020. "Materials Data on Mg3Cr by Materials Project". United States. doi:https://doi.org/10.17188/1315892. https://www.osti.gov/servlets/purl/1315892. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1315892,
title = {Materials Data on Mg3Cr by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Cr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Cr atoms to form MgMg8Cr4 cuboctahedra that share corners with four equivalent MgMg8Cr4 cuboctahedra, corners with eight equivalent CrMg12 cuboctahedra, edges with twenty-four MgMg8Cr4 cuboctahedra, faces with six equivalent CrMg12 cuboctahedra, and faces with twelve MgMg8Cr4 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. All Mg–Cr bond lengths are 3.07 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Cr atoms to form MgMg8Cr4 cuboctahedra that share corners with twelve equivalent MgMg8Cr4 cuboctahedra, edges with eight equivalent CrMg12 cuboctahedra, edges with sixteen MgMg8Cr4 cuboctahedra, faces with four equivalent CrMg12 cuboctahedra, and faces with fourteen MgMg8Cr4 cuboctahedra. All Mg–Mg bond lengths are 3.07 Å. All Mg–Cr bond lengths are 3.08 Å. Cr is bonded to twelve Mg atoms to form CrMg12 cuboctahedra that share corners with four equivalent CrMg12 cuboctahedra, corners with eight equivalent MgMg8Cr4 cuboctahedra, edges with eight equivalent CrMg12 cuboctahedra, edges with sixteen equivalent MgMg8Cr4 cuboctahedra, faces with four equivalent CrMg12 cuboctahedra, and faces with fourteen MgMg8Cr4 cuboctahedra.},
doi = {10.17188/1315892},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}