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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 2.39–3.14 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.93 Å) and two longer (3.02 Å) Bi–O bond lengths. Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.43–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and two O2- atoms. There is one shorter (1.71 Å) and one longer (2.24 Å) O–O bond length. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Bi3+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, one Bi3+, one Sb5+, and two O2- atoms. The O–O bond length is 1.42 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643903
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; Ba2BiSbO6; Ba-Bi-O-Sb
OSTI Identifier:
1280377
DOI:
10.17188/1280377

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba2BiSbO6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1280377.
Persson, Kristin, & Project, Materials. Materials Data on Ba2BiSbO6 by Materials Project. United States. doi:10.17188/1280377.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Ba2BiSbO6 by Materials Project". United States. doi:10.17188/1280377. https://www.osti.gov/servlets/purl/1280377. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1280377,
title = {Materials Data on Ba2BiSbO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
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 2.39–3.14 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.93 Å) and two longer (3.02 Å) Bi–O bond lengths. Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.43–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and two O2- atoms. There is one shorter (1.71 Å) and one longer (2.24 Å) O–O bond length. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Bi3+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, one Bi3+, one Sb5+, and two O2- atoms. The O–O bond length is 1.42 Å.},
doi = {10.17188/1280377},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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