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Title: Materials Data on CaMg2 by Materials Project

Abstract

Mg2Ca is Cubic Laves structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ca and twelve Mg atoms. There are three shorter (3.78 Å) and one longer (3.91 Å) Ca–Ca bond lengths. There are a spread of Ca–Mg bond distances ranging from 3.60–3.73 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Ca and six equivalent Mg atoms to form a mixture of corner, edge, and face-sharing MgCa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. In the second Mg site, Mg is bonded to six equivalent Ca and six Mg atoms to form a mixture of corner, edge, and face-sharing MgCa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.07 Å.

Publication Date:
Other Number(s):
mp-1039529
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; CaMg2; Ca-Mg
OSTI Identifier:
1672045
DOI:
https://doi.org/10.17188/1672045

Citation Formats

The Materials Project. Materials Data on CaMg2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1672045.
The Materials Project. Materials Data on CaMg2 by Materials Project. United States. doi:https://doi.org/10.17188/1672045
The Materials Project. 2017. "Materials Data on CaMg2 by Materials Project". United States. doi:https://doi.org/10.17188/1672045. https://www.osti.gov/servlets/purl/1672045. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1672045,
title = {Materials Data on CaMg2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Ca is Cubic Laves structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ca and twelve Mg atoms. There are three shorter (3.78 Å) and one longer (3.91 Å) Ca–Ca bond lengths. There are a spread of Ca–Mg bond distances ranging from 3.60–3.73 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Ca and six equivalent Mg atoms to form a mixture of corner, edge, and face-sharing MgCa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. In the second Mg site, Mg is bonded to six equivalent Ca and six Mg atoms to form a mixture of corner, edge, and face-sharing MgCa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.07 Å.},
doi = {10.17188/1672045},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}