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Title: Materials Data on Ba2Ge by Materials Project

Abstract

Ba2Ge is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing BaGe4 tetrahedra. There are a spread of Ba–Ge bond distances ranging from 3.36–3.44 Å. In the second Ba site, Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge atoms. There are one shorter (3.40 Å) and two longer (3.64 Å) Ba–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to seven Ba atoms.

Publication Date:
Other Number(s):
mp-13922
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; Ba2Ge; Ba-Ge
OSTI Identifier:
1189814
DOI:
https://doi.org/10.17188/1189814

Citation Formats

The Materials Project. Materials Data on Ba2Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189814.
The Materials Project. Materials Data on Ba2Ge by Materials Project. United States. doi:https://doi.org/10.17188/1189814
The Materials Project. 2020. "Materials Data on Ba2Ge by Materials Project". United States. doi:https://doi.org/10.17188/1189814. https://www.osti.gov/servlets/purl/1189814. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1189814,
title = {Materials Data on Ba2Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2Ge is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing BaGe4 tetrahedra. There are a spread of Ba–Ge bond distances ranging from 3.36–3.44 Å. In the second Ba site, Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge atoms. There are one shorter (3.40 Å) and two longer (3.64 Å) Ba–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to seven Ba atoms.},
doi = {10.17188/1189814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}