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Title: Materials Data on Cd3Ga by Materials Project

Abstract

Cd3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cd is bonded to eight equivalent Cd and four equivalent Ga atoms to form CdCd8Ga4 cuboctahedra that share corners with four equivalent GaCd12 cuboctahedra, corners with fourteen equivalent CdCd8Ga4 cuboctahedra, edges with six equivalent GaCd12 cuboctahedra, edges with twelve equivalent CdCd8Ga4 cuboctahedra, faces with four equivalent GaCd12 cuboctahedra, and faces with sixteen equivalent CdCd8Ga4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.14–3.22 Å. There are two shorter (3.12 Å) and two longer (3.19 Å) Cd–Ga bond lengths. Ga is bonded to twelve equivalent Cd atoms to form GaCd12 cuboctahedra that share corners with six equivalent GaCd12 cuboctahedra, corners with twelve equivalent CdCd8Ga4 cuboctahedra, edges with eighteen equivalent CdCd8Ga4 cuboctahedra, faces with eight equivalent GaCd12 cuboctahedra, and faces with twelve equivalent CdCd8Ga4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1183662
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; Cd3Ga; Cd-Ga
OSTI Identifier:
1667155
DOI:
https://doi.org/10.17188/1667155

Citation Formats

The Materials Project. Materials Data on Cd3Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667155.
The Materials Project. Materials Data on Cd3Ga by Materials Project. United States. doi:https://doi.org/10.17188/1667155
The Materials Project. 2020. "Materials Data on Cd3Ga by Materials Project". United States. doi:https://doi.org/10.17188/1667155. https://www.osti.gov/servlets/purl/1667155. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1667155,
title = {Materials Data on Cd3Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Cd3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cd is bonded to eight equivalent Cd and four equivalent Ga atoms to form CdCd8Ga4 cuboctahedra that share corners with four equivalent GaCd12 cuboctahedra, corners with fourteen equivalent CdCd8Ga4 cuboctahedra, edges with six equivalent GaCd12 cuboctahedra, edges with twelve equivalent CdCd8Ga4 cuboctahedra, faces with four equivalent GaCd12 cuboctahedra, and faces with sixteen equivalent CdCd8Ga4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.14–3.22 Å. There are two shorter (3.12 Å) and two longer (3.19 Å) Cd–Ga bond lengths. Ga is bonded to twelve equivalent Cd atoms to form GaCd12 cuboctahedra that share corners with six equivalent GaCd12 cuboctahedra, corners with twelve equivalent CdCd8Ga4 cuboctahedra, edges with eighteen equivalent CdCd8Ga4 cuboctahedra, faces with eight equivalent GaCd12 cuboctahedra, and faces with twelve equivalent CdCd8Ga4 cuboctahedra.},
doi = {10.17188/1667155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}