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Title: Materials Data on BaSi2O5 by Materials Project

Abstract

BaSi2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.12 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ba2+ and two equivalent Si4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-3031
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; BaSi2O5; Ba-O-Si
OSTI Identifier:
1204732
DOI:
https://doi.org/10.17188/1204732

Citation Formats

The Materials Project. Materials Data on BaSi2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204732.
The Materials Project. Materials Data on BaSi2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1204732
The Materials Project. 2020. "Materials Data on BaSi2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1204732. https://www.osti.gov/servlets/purl/1204732. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204732,
title = {Materials Data on BaSi2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSi2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.12 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ba2+ and two equivalent Si4+ atoms.},
doi = {10.17188/1204732},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Works referencing / citing this record:

Matching different symmetries with an atomically sharp interface: Epitaxial Ba 2 SiO 4 on Si(001)
journal, January 2020