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Title: Materials Data on MgCd2 by Materials Project

Abstract

MgCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight Cd atoms to form distorted MgMg4Cd8 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with eighteen CdMg6Cd6 cuboctahedra, faces with ten equivalent MgMg4Cd8 cuboctahedra, and faces with ten CdMg6Cd6 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are two shorter (3.10 Å) and six longer (3.13 Å) Mg–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Mg and six Cd atoms to form distorted CdMg6Cd6 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven equivalent MgMg4Cd8 cuboctahedra, edges with eleven CdMg6Cd6 cuboctahedra, faces with six equivalent MgMg4Cd8 cuboctahedra, and faces with fourteen CdMg6Cd6 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.14–3.22 Å. In the second Cd site, Cd is bonded to two equivalent Mg and ten Cd atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven CdMg6Cd6 cuboctahedra,more » edges with eleven equivalent MgMg4Cd8 cuboctahedra, faces with four equivalent MgMg4Cd8 cuboctahedra, and faces with sixteen CdMg6Cd6 cuboctahedra. There are four shorter (3.16 Å) and two longer (3.22 Å) Cd–Cd bond lengths.« less

Publication Date:
Other Number(s):
mp-1094804
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; MgCd2; Cd-Mg
OSTI Identifier:
1706766
DOI:
https://doi.org/10.17188/1706766

Citation Formats

The Materials Project. Materials Data on MgCd2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706766.
The Materials Project. Materials Data on MgCd2 by Materials Project. United States. doi:https://doi.org/10.17188/1706766
The Materials Project. 2020. "Materials Data on MgCd2 by Materials Project". United States. doi:https://doi.org/10.17188/1706766. https://www.osti.gov/servlets/purl/1706766. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1706766,
title = {Materials Data on MgCd2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight Cd atoms to form distorted MgMg4Cd8 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with eighteen CdMg6Cd6 cuboctahedra, faces with ten equivalent MgMg4Cd8 cuboctahedra, and faces with ten CdMg6Cd6 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are two shorter (3.10 Å) and six longer (3.13 Å) Mg–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Mg and six Cd atoms to form distorted CdMg6Cd6 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven equivalent MgMg4Cd8 cuboctahedra, edges with eleven CdMg6Cd6 cuboctahedra, faces with six equivalent MgMg4Cd8 cuboctahedra, and faces with fourteen CdMg6Cd6 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.14–3.22 Å. In the second Cd site, Cd is bonded to two equivalent Mg and ten Cd atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven CdMg6Cd6 cuboctahedra, edges with eleven equivalent MgMg4Cd8 cuboctahedra, faces with four equivalent MgMg4Cd8 cuboctahedra, and faces with sixteen CdMg6Cd6 cuboctahedra. There are four shorter (3.16 Å) and two longer (3.22 Å) Cd–Cd bond lengths.},
doi = {10.17188/1706766},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}