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Title: Materials Data on BaCd3Ga by Materials Project

Abstract

BaCd3Ga crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Cd and four equivalent Ga atoms. There are a spread of Ba–Cd bond distances ranging from 3.69–3.90 Å. All Ba–Ga bond lengths are 3.73 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Cd, and two equivalent Ga atoms. Both Cd–Cd bond lengths are 2.97 Å. Both Cd–Ga bond lengths are 2.82 Å. In the second Cd site, Cd is bonded in a 1-coordinate geometry to four equivalent Ba, four equivalent Cd, and one Ga atom. The Cd–Ga bond length is 2.71 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Ba and five Cd atoms.

Publication Date:
Other Number(s):
mp-1227962
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; BaCd3Ga; Ba-Cd-Ga
OSTI Identifier:
1728840
DOI:
https://doi.org/10.17188/1728840

Citation Formats

The Materials Project. Materials Data on BaCd3Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728840.
The Materials Project. Materials Data on BaCd3Ga by Materials Project. United States. doi:https://doi.org/10.17188/1728840
The Materials Project. 2020. "Materials Data on BaCd3Ga by Materials Project". United States. doi:https://doi.org/10.17188/1728840. https://www.osti.gov/servlets/purl/1728840. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1728840,
title = {Materials Data on BaCd3Ga by Materials Project},
author = {The Materials Project},
abstractNote = {BaCd3Ga crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Cd and four equivalent Ga atoms. There are a spread of Ba–Cd bond distances ranging from 3.69–3.90 Å. All Ba–Ga bond lengths are 3.73 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Cd, and two equivalent Ga atoms. Both Cd–Cd bond lengths are 2.97 Å. Both Cd–Ga bond lengths are 2.82 Å. In the second Cd site, Cd is bonded in a 1-coordinate geometry to four equivalent Ba, four equivalent Cd, and one Ga atom. The Cd–Ga bond length is 2.71 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Ba and five Cd atoms.},
doi = {10.17188/1728840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}