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Title: Materials Data on MgIn3 by Materials Project

Abstract

MgIn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent In atoms to form MgIn12 cuboctahedra that share corners with six equivalent MgIn12 cuboctahedra, corners with twelve equivalent InMg4In8 cuboctahedra, edges with eighteen equivalent InMg4In8 cuboctahedra, faces with eight equivalent MgIn12 cuboctahedra, and faces with twelve equivalent InMg4In8 cuboctahedra. There are six shorter (3.25 Å) and six longer (3.37 Å) Mg–In bond lengths. In is bonded to four equivalent Mg and eight equivalent In atoms to form distorted InMg4In8 cuboctahedra that share corners with four equivalent MgIn12 cuboctahedra, corners with fourteen equivalent InMg4In8 cuboctahedra, edges with six equivalent MgIn12 cuboctahedra, edges with twelve equivalent InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with sixteen equivalent InMg4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.25–3.38 Å.

Publication Date:
Other Number(s):
mp-1185630
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; MgIn3; In-Mg
OSTI Identifier:
1672229
DOI:
https://doi.org/10.17188/1672229

Citation Formats

The Materials Project. Materials Data on MgIn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672229.
The Materials Project. Materials Data on MgIn3 by Materials Project. United States. doi:https://doi.org/10.17188/1672229
The Materials Project. 2020. "Materials Data on MgIn3 by Materials Project". United States. doi:https://doi.org/10.17188/1672229. https://www.osti.gov/servlets/purl/1672229. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672229,
title = {Materials Data on MgIn3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgIn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent In atoms to form MgIn12 cuboctahedra that share corners with six equivalent MgIn12 cuboctahedra, corners with twelve equivalent InMg4In8 cuboctahedra, edges with eighteen equivalent InMg4In8 cuboctahedra, faces with eight equivalent MgIn12 cuboctahedra, and faces with twelve equivalent InMg4In8 cuboctahedra. There are six shorter (3.25 Å) and six longer (3.37 Å) Mg–In bond lengths. In is bonded to four equivalent Mg and eight equivalent In atoms to form distorted InMg4In8 cuboctahedra that share corners with four equivalent MgIn12 cuboctahedra, corners with fourteen equivalent InMg4In8 cuboctahedra, edges with six equivalent MgIn12 cuboctahedra, edges with twelve equivalent InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with sixteen equivalent InMg4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.25–3.38 Å.},
doi = {10.17188/1672229},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}