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Title: Materials Data on BaCaGe by Materials Project

Abstract

BaCaGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.75 Å. Ca is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CaGe4 tetrahedra. There are a spread of Ca–Ge bond distances ranging from 3.13–3.18 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.

Publication Date:
Other Number(s):
mp-16252
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; BaCaGe; Ba-Ca-Ge
OSTI Identifier:
1191699
DOI:
10.17188/1191699

Citation Formats

The Materials Project. Materials Data on BaCaGe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191699.
The Materials Project. Materials Data on BaCaGe by Materials Project. United States. doi:10.17188/1191699.
The Materials Project. 2020. "Materials Data on BaCaGe by Materials Project". United States. doi:10.17188/1191699. https://www.osti.gov/servlets/purl/1191699. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1191699,
title = {Materials Data on BaCaGe by Materials Project},
author = {The Materials Project},
abstractNote = {BaCaGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.75 Å. Ca is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CaGe4 tetrahedra. There are a spread of Ca–Ge bond distances ranging from 3.13–3.18 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.},
doi = {10.17188/1191699},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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