U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgCd3 by Materials Project
Abstract
MgCd3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Cd atoms to form distorted MgCd6 cuboctahedra that share corners with twenty-four CdCd12 cuboctahedra, edges with six equivalent MgCd6 cuboctahedra, edges with twelve equivalent CdMg3Cd9 cuboctahedra, and faces with two equivalent CdCd12 cuboctahedra. All Mg–Cd bond lengths are 3.04 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to twelve Cd atoms to form CdCd12 cuboctahedra that share corners with six equivalent CdCd12 cuboctahedra, corners with twelve equivalent MgCd6 cuboctahedra, edges with eighteen CdCd12 cuboctahedra, faces with two equivalent MgCd6 cuboctahedra, and faces with eighteen CdCd12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.27 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to three equivalent Mg and nine Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent MgCd6 cuboctahedra, corners with eighteen equivalent CdMg3Cd9 cuboctahedra, edges with six equivalent MgCd6 cuboctahedra, edges with twelve CdCd12 cuboctahedra, and faces with fourteen CdCd12 cuboctahedra. All Cd–Cd bond lengths are 3.27 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1038869
- 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; MgCd3; Cd-Mg
- OSTI Identifier:
- 1736896
- DOI:
- https://doi.org/10.17188/1736896
Citation Formats
The Materials Project. Materials Data on MgCd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1736896.
The Materials Project. Materials Data on MgCd3 by Materials Project. United States. doi:https://doi.org/10.17188/1736896
The Materials Project. 2020.
"Materials Data on MgCd3 by Materials Project". United States. doi:https://doi.org/10.17188/1736896. https://www.osti.gov/servlets/purl/1736896. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1736896,
title = {Materials Data on MgCd3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCd3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Cd atoms to form distorted MgCd6 cuboctahedra that share corners with twenty-four CdCd12 cuboctahedra, edges with six equivalent MgCd6 cuboctahedra, edges with twelve equivalent CdMg3Cd9 cuboctahedra, and faces with two equivalent CdCd12 cuboctahedra. All Mg–Cd bond lengths are 3.04 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to twelve Cd atoms to form CdCd12 cuboctahedra that share corners with six equivalent CdCd12 cuboctahedra, corners with twelve equivalent MgCd6 cuboctahedra, edges with eighteen CdCd12 cuboctahedra, faces with two equivalent MgCd6 cuboctahedra, and faces with eighteen CdCd12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.27 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to three equivalent Mg and nine Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent MgCd6 cuboctahedra, corners with eighteen equivalent CdMg3Cd9 cuboctahedra, edges with six equivalent MgCd6 cuboctahedra, edges with twelve CdCd12 cuboctahedra, and faces with fourteen CdCd12 cuboctahedra. All Cd–Cd bond lengths are 3.27 Å.},
doi = {10.17188/1736896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}