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Title: Materials Data on MgCd2 by Materials Project

Abstract

MgCd2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Cd atoms to form MgMg6Cd6 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve equivalent CdMg3Cd9 cuboctahedra, edges with six equivalent MgMg6Cd6 cuboctahedra, edges with twelve equivalent CdMg3Cd9 cuboctahedra, faces with six equivalent MgMg6Cd6 cuboctahedra, and faces with fourteen equivalent CdMg3Cd9 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. All Mg–Cd bond lengths are 3.17 Å. Cd is bonded to three equivalent Mg and nine equivalent Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve equivalent CdMg3Cd9 cuboctahedra, edges with six equivalent MgMg6Cd6 cuboctahedra, edges with twelve equivalent CdMg3Cd9 cuboctahedra, faces with seven equivalent MgMg6Cd6 cuboctahedra, and faces with thirteen equivalent CdMg3Cd9 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.22 Å) Cd–Cd bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1039217
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; MgCd2; Cd-Mg
OSTI Identifier:
1733140
DOI:
https://doi.org/10.17188/1733140

Citation Formats

The Materials Project. Materials Data on MgCd2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733140.
The Materials Project. Materials Data on MgCd2 by Materials Project. United States. doi:https://doi.org/10.17188/1733140
The Materials Project. 2020. "Materials Data on MgCd2 by Materials Project". United States. doi:https://doi.org/10.17188/1733140. https://www.osti.gov/servlets/purl/1733140. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1733140,
title = {Materials Data on MgCd2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCd2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Cd atoms to form MgMg6Cd6 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve equivalent CdMg3Cd9 cuboctahedra, edges with six equivalent MgMg6Cd6 cuboctahedra, edges with twelve equivalent CdMg3Cd9 cuboctahedra, faces with six equivalent MgMg6Cd6 cuboctahedra, and faces with fourteen equivalent CdMg3Cd9 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. All Mg–Cd bond lengths are 3.17 Å. Cd is bonded to three equivalent Mg and nine equivalent Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve equivalent CdMg3Cd9 cuboctahedra, edges with six equivalent MgMg6Cd6 cuboctahedra, edges with twelve equivalent CdMg3Cd9 cuboctahedra, faces with seven equivalent MgMg6Cd6 cuboctahedra, and faces with thirteen equivalent CdMg3Cd9 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.22 Å) Cd–Cd bond lengths.},
doi = {10.17188/1733140},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}