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Title: Materials Data on Ba2BiSbO6 by Materials Project

Abstract

Ba2BiSbO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–2.81 Å. Bi3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Bi–O bond lengths are 2.44 Å. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.20 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, one Bi3+, and one O2- atom to form a mixture of distorted edge and corner-sharing OBa2BiO trigonal pyramids. The O–O bond length is 1.49 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Ba2+ and one Sb5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1182508
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; Ba2BiSbO6; Ba-Bi-O-Sb
OSTI Identifier:
1683577
DOI:
https://doi.org/10.17188/1683577

Citation Formats

The Materials Project. Materials Data on Ba2BiSbO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1683577.
The Materials Project. Materials Data on Ba2BiSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1683577
The Materials Project. 2019. "Materials Data on Ba2BiSbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1683577. https://www.osti.gov/servlets/purl/1683577. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1683577,
title = {Materials Data on Ba2BiSbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2BiSbO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–2.81 Å. Bi3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Bi–O bond lengths are 2.44 Å. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.20 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, one Bi3+, and one O2- atom to form a mixture of distorted edge and corner-sharing OBa2BiO trigonal pyramids. The O–O bond length is 1.49 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Ba2+ and one Sb5+ atom.},
doi = {10.17188/1683577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}