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:
- Publication Date:
- Other Number(s):
- mp-17833
- 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; Ba3GeO; Ba-Ge-O
- OSTI Identifier:
- 1192721
- DOI:
- https://doi.org/10.17188/1192721
Citation Formats
The Materials Project. Materials Data on Ba3GeO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192721.
The Materials Project. Materials Data on Ba3GeO by Materials Project. United States. doi:https://doi.org/10.17188/1192721
The Materials Project. 2020.
"Materials Data on Ba3GeO by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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}
}