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Title: Materials Data on BaCdSb2 by Materials Project

Abstract

BaCdSb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.61 Å) and four longer (3.62 Å) Ba–Sb bond lengths. Cd2+ is bonded to four equivalent Sb2- atoms to form a mixture of corner and edge-sharing CdSb4 tetrahedra. All Cd–Sb bond lengths are 2.97 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. In the second Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four equivalent Ba2+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.26 Å.

Authors:
Publication Date:
Other Number(s):
mp-30040
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; BaCdSb2; Ba-Cd-Sb
OSTI Identifier:
1204469
DOI:
https://doi.org/10.17188/1204469

Citation Formats

The Materials Project. Materials Data on BaCdSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204469.
The Materials Project. Materials Data on BaCdSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1204469
The Materials Project. 2020. "Materials Data on BaCdSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1204469. https://www.osti.gov/servlets/purl/1204469. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204469,
title = {Materials Data on BaCdSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCdSb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.61 Å) and four longer (3.62 Å) Ba–Sb bond lengths. Cd2+ is bonded to four equivalent Sb2- atoms to form a mixture of corner and edge-sharing CdSb4 tetrahedra. All Cd–Sb bond lengths are 2.97 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. In the second Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four equivalent Ba2+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.26 Å.},
doi = {10.17188/1204469},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}