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Title: Materials Data on Cd3Ge by Materials Project

Abstract

Cd3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to eight Cd and four equivalent Ge atoms to form CdCd8Ge4 cuboctahedra that share corners with twelve equivalent CdCd8Ge4 cuboctahedra, edges with eight equivalent GeCd12 cuboctahedra, edges with sixteen CdCd8Ge4 cuboctahedra, faces with four equivalent GeCd12 cuboctahedra, and faces with fourteen CdCd8Ge4 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.18 Å) Cd–Cd bond lengths. All Cd–Ge bond lengths are 3.18 Å. In the second Cd site, Cd is bonded to eight equivalent Cd and four equivalent Ge atoms to form distorted CdCd8Ge4 cuboctahedra that share corners with four equivalent CdCd8Ge4 cuboctahedra, corners with eight equivalent GeCd12 cuboctahedra, edges with twenty-four CdCd8Ge4 cuboctahedra, faces with six equivalent GeCd12 cuboctahedra, and faces with twelve CdCd8Ge4 cuboctahedra. All Cd–Ge bond lengths are 3.13 Å. Ge is bonded to twelve Cd atoms to form GeCd12 cuboctahedra that share corners with four equivalent GeCd12 cuboctahedra, corners with eight equivalent CdCd8Ge4 cuboctahedra, edges with eight equivalent GeCd12 cuboctahedra, edges with sixteen equivalent CdCd8Ge4 cuboctahedra, faces with four equivalent GeCd12 cuboctahedra, and facesmore » with fourteen CdCd8Ge4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1183644
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; Cd3Ge; Cd-Ge
OSTI Identifier:
1662612
DOI:
https://doi.org/10.17188/1662612

Citation Formats

The Materials Project. Materials Data on Cd3Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662612.
The Materials Project. Materials Data on Cd3Ge by Materials Project. United States. doi:https://doi.org/10.17188/1662612
The Materials Project. 2020. "Materials Data on Cd3Ge by Materials Project". United States. doi:https://doi.org/10.17188/1662612. https://www.osti.gov/servlets/purl/1662612. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1662612,
title = {Materials Data on Cd3Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Cd3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to eight Cd and four equivalent Ge atoms to form CdCd8Ge4 cuboctahedra that share corners with twelve equivalent CdCd8Ge4 cuboctahedra, edges with eight equivalent GeCd12 cuboctahedra, edges with sixteen CdCd8Ge4 cuboctahedra, faces with four equivalent GeCd12 cuboctahedra, and faces with fourteen CdCd8Ge4 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.18 Å) Cd–Cd bond lengths. All Cd–Ge bond lengths are 3.18 Å. In the second Cd site, Cd is bonded to eight equivalent Cd and four equivalent Ge atoms to form distorted CdCd8Ge4 cuboctahedra that share corners with four equivalent CdCd8Ge4 cuboctahedra, corners with eight equivalent GeCd12 cuboctahedra, edges with twenty-four CdCd8Ge4 cuboctahedra, faces with six equivalent GeCd12 cuboctahedra, and faces with twelve CdCd8Ge4 cuboctahedra. All Cd–Ge bond lengths are 3.13 Å. Ge is bonded to twelve Cd atoms to form GeCd12 cuboctahedra that share corners with four equivalent GeCd12 cuboctahedra, corners with eight equivalent CdCd8Ge4 cuboctahedra, edges with eight equivalent GeCd12 cuboctahedra, edges with sixteen equivalent CdCd8Ge4 cuboctahedra, faces with four equivalent GeCd12 cuboctahedra, and faces with fourteen CdCd8Ge4 cuboctahedra.},
doi = {10.17188/1662612},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}