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Title: Materials Data on CdAg3 by Materials Project

Abstract

Ag3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with twelve equivalent AgCd4Ag8 cuboctahedra, edges with eight equivalent CdAg12 cuboctahedra, edges with sixteen AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with fourteen AgCd4Ag8 cuboctahedra. There are four shorter (2.96 Å) and four longer (2.99 Å) Ag–Ag bond lengths. All Ag–Cd bond lengths are 2.99 Å. In the second Ag site, Ag is bonded to eight equivalent Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with four equivalent AgCd4Ag8 cuboctahedra, corners with eight equivalent CdAg12 cuboctahedra, edges with twenty-four AgCd4Ag8 cuboctahedra, faces with six equivalent CdAg12 cuboctahedra, and faces with twelve AgCd4Ag8 cuboctahedra. All Ag–Cd bond lengths are 2.96 Å. Cd is bonded to twelve Ag atoms to form CdAg12 cuboctahedra that share corners with four equivalent CdAg12 cuboctahedra, corners with eight equivalent AgCd4Ag8 cuboctahedra, edges with eight equivalent CdAg12 cuboctahedra, edges with sixteen equivalent AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces withmore » fourteen AgCd4Ag8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1183647
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; CdAg3; Ag-Cd
OSTI Identifier:
1710928
DOI:
https://doi.org/10.17188/1710928

Citation Formats

The Materials Project. Materials Data on CdAg3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710928.
The Materials Project. Materials Data on CdAg3 by Materials Project. United States. doi:https://doi.org/10.17188/1710928
The Materials Project. 2020. "Materials Data on CdAg3 by Materials Project". United States. doi:https://doi.org/10.17188/1710928. https://www.osti.gov/servlets/purl/1710928. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710928,
title = {Materials Data on CdAg3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with twelve equivalent AgCd4Ag8 cuboctahedra, edges with eight equivalent CdAg12 cuboctahedra, edges with sixteen AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with fourteen AgCd4Ag8 cuboctahedra. There are four shorter (2.96 Å) and four longer (2.99 Å) Ag–Ag bond lengths. All Ag–Cd bond lengths are 2.99 Å. In the second Ag site, Ag is bonded to eight equivalent Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with four equivalent AgCd4Ag8 cuboctahedra, corners with eight equivalent CdAg12 cuboctahedra, edges with twenty-four AgCd4Ag8 cuboctahedra, faces with six equivalent CdAg12 cuboctahedra, and faces with twelve AgCd4Ag8 cuboctahedra. All Ag–Cd bond lengths are 2.96 Å. Cd is bonded to twelve Ag atoms to form CdAg12 cuboctahedra that share corners with four equivalent CdAg12 cuboctahedra, corners with eight equivalent AgCd4Ag8 cuboctahedra, edges with eight equivalent CdAg12 cuboctahedra, edges with sixteen equivalent AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with fourteen AgCd4Ag8 cuboctahedra.},
doi = {10.17188/1710928},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}