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Title: Materials Data on Mg3In by Materials Project

Abstract

Mg3In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two In atoms. Both Mg–Mg bond lengths are 3.10 Å. There are one shorter (2.99 Å) and one longer (3.08 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg and three In atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distances ranging from 3.07–3.47 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to nine Mg and one In atom. The In–In bond length is 2.92 Å. In the second In site, In is bonded in a 7-coordinate geometry to six Mg and one In atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672314
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; Mg3In; In-Mg
OSTI Identifier:
1281840
DOI:
10.17188/1281840

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mg3In by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281840.
Persson, Kristin, & Project, Materials. Materials Data on Mg3In by Materials Project. United States. doi:10.17188/1281840.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mg3In by Materials Project". United States. doi:10.17188/1281840. https://www.osti.gov/servlets/purl/1281840. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1281840,
title = {Materials Data on Mg3In by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mg3In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two In atoms. Both Mg–Mg bond lengths are 3.10 Å. There are one shorter (2.99 Å) and one longer (3.08 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg and three In atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distances ranging from 3.07–3.47 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to nine Mg and one In atom. The In–In bond length is 2.92 Å. In the second In site, In is bonded in a 7-coordinate geometry to six Mg and one In atom.},
doi = {10.17188/1281840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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