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Title: Materials Data on Ti(BiO3)2 by Materials Project

Abstract

Ti(BiO3)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.79–2.68 Å. Bi4+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ti4+, four equivalent Bi4+, and four equivalent O2- atoms. All O–O bond lengths are 2.70 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Ti4+ and four equivalent Bi4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti4+, two equivalent Bi4+, and one O2- atom.

Publication Date:
Other Number(s):
mvc-14949
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; Ti(BiO3)2; Bi-O-Ti
OSTI Identifier:
1319333
DOI:
10.17188/1319333

Citation Formats

The Materials Project. Materials Data on Ti(BiO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319333.
The Materials Project. Materials Data on Ti(BiO3)2 by Materials Project. United States. doi:10.17188/1319333.
The Materials Project. 2020. "Materials Data on Ti(BiO3)2 by Materials Project". United States. doi:10.17188/1319333. https://www.osti.gov/servlets/purl/1319333. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1319333,
title = {Materials Data on Ti(BiO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti(BiO3)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.79–2.68 Å. Bi4+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ti4+, four equivalent Bi4+, and four equivalent O2- atoms. All O–O bond lengths are 2.70 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Ti4+ and four equivalent Bi4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti4+, two equivalent Bi4+, and one O2- atom.},
doi = {10.17188/1319333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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