skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CaMg3 by Materials Project

Abstract

Mg3Ca is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to fourteen Mg atoms. There are eight shorter (3.24 Å) and six longer (3.75 Å) Ca–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.24 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Mg atoms.

Publication Date:
Other Number(s):
mp-1094734
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; CaMg3; Ca-Mg
OSTI Identifier:
1680263
DOI:
https://doi.org/10.17188/1680263

Citation Formats

The Materials Project. Materials Data on CaMg3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680263.
The Materials Project. Materials Data on CaMg3 by Materials Project. United States. doi:https://doi.org/10.17188/1680263
The Materials Project. 2020. "Materials Data on CaMg3 by Materials Project". United States. doi:https://doi.org/10.17188/1680263. https://www.osti.gov/servlets/purl/1680263. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680263,
title = {Materials Data on CaMg3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Ca is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to fourteen Mg atoms. There are eight shorter (3.24 Å) and six longer (3.75 Å) Ca–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.24 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Mg atoms.},
doi = {10.17188/1680263},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}