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Title: Materials Data on BaCd3 by Materials Project

Abstract

BaCd3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba is bonded to twelve Cd atoms to form a mixture of distorted corner and face-sharing BaCd12 cuboctahedra. There are a spread of Ba–Cd bond distances ranging from 3.63–3.81 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.23 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are one shorter (3.12 Å) and two longer (3.23 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1183366
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; BaCd3; Ba-Cd
OSTI Identifier:
1738738
DOI:
https://doi.org/10.17188/1738738

Citation Formats

The Materials Project. Materials Data on BaCd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738738.
The Materials Project. Materials Data on BaCd3 by Materials Project. United States. doi:https://doi.org/10.17188/1738738
The Materials Project. 2020. "Materials Data on BaCd3 by Materials Project". United States. doi:https://doi.org/10.17188/1738738. https://www.osti.gov/servlets/purl/1738738. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738738,
title = {Materials Data on BaCd3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCd3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba is bonded to twelve Cd atoms to form a mixture of distorted corner and face-sharing BaCd12 cuboctahedra. There are a spread of Ba–Cd bond distances ranging from 3.63–3.81 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.23 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are one shorter (3.12 Å) and two longer (3.23 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms.},
doi = {10.17188/1738738},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}