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Title: Materials Data on TaBiO4 by Materials Project

Abstract

BiTaO4 is Brookite-derived structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Ta–O bond distances ranging from 1.91–2.13 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.78 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one Bi3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-30900
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; TaBiO4; Bi-O-Ta
OSTI Identifier:
1205249
DOI:
https://doi.org/10.17188/1205249

Citation Formats

The Materials Project. Materials Data on TaBiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205249.
The Materials Project. Materials Data on TaBiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1205249
The Materials Project. 2020. "Materials Data on TaBiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1205249. https://www.osti.gov/servlets/purl/1205249. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1205249,
title = {Materials Data on TaBiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {BiTaO4 is Brookite-derived structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Ta–O bond distances ranging from 1.91–2.13 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.78 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one Bi3+ atom.},
doi = {10.17188/1205249},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}