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Title: Materials Data on Ba2SrWO6 by Materials Project

Abstract

Ba2SrWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–2.84 Å. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 19–24°. There are four shorter (2.46 Å) and two longer (2.47 Å) Sr–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 19–24°. All W–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Sr2+, and one W6+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, one Sr2+, and one W6+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1193460
Report Number(s):
mp-18764
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ba2SrWO6; Ba-O-Sr-W

Citation Formats

The Materials Project. Materials Data on Ba2SrWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193460.
The Materials Project. Materials Data on Ba2SrWO6 by Materials Project. United States. https://doi.org/10.17188/1193460
The Materials Project. 2020. "Materials Data on Ba2SrWO6 by Materials Project". United States. https://doi.org/10.17188/1193460. https://www.osti.gov/servlets/purl/1193460.
@article{osti_1193460,
title = {Materials Data on Ba2SrWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2SrWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–2.84 Å. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 19–24°. There are four shorter (2.46 Å) and two longer (2.47 Å) Sr–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 19–24°. All W–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Sr2+, and one W6+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, one Sr2+, and one W6+ atom.},
doi = {10.17188/1193460},
url = {https://www.osti.gov/biblio/1193460}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}