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Title: Materials Data on BaCd11 by Materials Project

Abstract

BaCd11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eighteen Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.76–3.95 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.01–3.22 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent Ba and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–3.46 Å. In the third Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ba and twelve Cd atoms.

Authors:
Publication Date:
Other Number(s):
mp-31216
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; BaCd11; Ba-Cd
OSTI Identifier:
1205513
DOI:
https://doi.org/10.17188/1205513

Citation Formats

The Materials Project. Materials Data on BaCd11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205513.
The Materials Project. Materials Data on BaCd11 by Materials Project. United States. doi:https://doi.org/10.17188/1205513
The Materials Project. 2020. "Materials Data on BaCd11 by Materials Project". United States. doi:https://doi.org/10.17188/1205513. https://www.osti.gov/servlets/purl/1205513. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1205513,
title = {Materials Data on BaCd11 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCd11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eighteen Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.76–3.95 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.01–3.22 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent Ba and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–3.46 Å. In the third Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ba and twelve Cd atoms.},
doi = {10.17188/1205513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}