U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2Mg by Materials Project
Abstract
Ca2Mg crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to eight Ca and four equivalent Mg atoms to form a mixture of face, edge, and corner-sharing CaCa8Mg4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.62–3.71 Å. There are two shorter (3.68 Å) and two longer (3.71 Å) Ca–Mg bond lengths. In the second Ca site, Ca is bonded to six equivalent Ca and six equivalent Mg atoms to form CaCa6Mg6 cuboctahedra that share corners with six equivalent CaCa6Mg6 cuboctahedra, edges with eighteen CaCa8Mg4 cuboctahedra, and faces with twelve equivalent CaCa8Mg4 cuboctahedra. All Ca–Mg bond lengths are 3.68 Å. Mg is bonded in a 9-coordinate geometry to nine Ca atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1039332
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ca2Mg; Ca-Mg
- OSTI Identifier:
- 1672265
- DOI:
- https://doi.org/10.17188/1672265
Citation Formats
The Materials Project. Materials Data on Ca2Mg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672265.
The Materials Project. Materials Data on Ca2Mg by Materials Project. United States. doi:https://doi.org/10.17188/1672265
The Materials Project. 2020.
"Materials Data on Ca2Mg by Materials Project". United States. doi:https://doi.org/10.17188/1672265. https://www.osti.gov/servlets/purl/1672265. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672265,
title = {Materials Data on Ca2Mg by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2Mg crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to eight Ca and four equivalent Mg atoms to form a mixture of face, edge, and corner-sharing CaCa8Mg4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.62–3.71 Å. There are two shorter (3.68 Å) and two longer (3.71 Å) Ca–Mg bond lengths. In the second Ca site, Ca is bonded to six equivalent Ca and six equivalent Mg atoms to form CaCa6Mg6 cuboctahedra that share corners with six equivalent CaCa6Mg6 cuboctahedra, edges with eighteen CaCa8Mg4 cuboctahedra, and faces with twelve equivalent CaCa8Mg4 cuboctahedra. All Ca–Mg bond lengths are 3.68 Å. Mg is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1672265},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}