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Title: Materials Data on Ba3GeO by Materials Project

Abstract

Ba3GeO is Orthorhombic Perovskite 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 in a 2-coordinate geometry to two equivalent Ge and two equivalent O atoms. There are one shorter (3.34 Å) and one longer (3.49 Å) Ba–Ge bond lengths. Both Ba–O bond lengths are 2.79 Å. In the second Ba site, Ba is bonded in a 2-coordinate geometry to three equivalent Ge and two equivalent O atoms. There are a spread of Ba–Ge bond distances ranging from 3.35–3.83 Å. There are one shorter (2.78 Å) and one longer (2.79 Å) Ba–O bond lengths. Ge is bonded in a 8-coordinate geometry to eight Ba atoms. O is bonded to six Ba atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 26°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-17833
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; Ba3GeO; Ba-Ge-O
OSTI Identifier:
1192721
DOI:
10.17188/1192721

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba3GeO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192721.
Persson, Kristin, & Project, Materials. Materials Data on Ba3GeO by Materials Project. United States. doi:10.17188/1192721.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba3GeO by Materials Project". United States. doi:10.17188/1192721. https://www.osti.gov/servlets/purl/1192721. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192721,
title = {Materials Data on Ba3GeO by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ba3GeO is Orthorhombic Perovskite 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 in a 2-coordinate geometry to two equivalent Ge and two equivalent O atoms. There are one shorter (3.34 Å) and one longer (3.49 Å) Ba–Ge bond lengths. Both Ba–O bond lengths are 2.79 Å. In the second Ba site, Ba is bonded in a 2-coordinate geometry to three equivalent Ge and two equivalent O atoms. There are a spread of Ba–Ge bond distances ranging from 3.35–3.83 Å. There are one shorter (2.78 Å) and one longer (2.79 Å) Ba–O bond lengths. Ge is bonded in a 8-coordinate geometry to eight Ba atoms. O is bonded to six Ba atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 26°.},
doi = {10.17188/1192721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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