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Title: Materials Data on TiBi2O5 by Materials Project

Abstract

Bi2TiO5 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ti4+ is bonded to four O2- atoms to form corner-sharing TiO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.81–1.88 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.69 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and two equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in amore » bent 150 degrees geometry to two equivalent Ti4+ atoms.« less

Publication Date:
Other Number(s):
mp-752676
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; TiBi2O5; Bi-O-Ti
OSTI Identifier:
1288728
DOI:
https://doi.org/10.17188/1288728

Citation Formats

The Materials Project. Materials Data on TiBi2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288728.
The Materials Project. Materials Data on TiBi2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1288728
The Materials Project. 2020. "Materials Data on TiBi2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1288728. https://www.osti.gov/servlets/purl/1288728. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1288728,
title = {Materials Data on TiBi2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2TiO5 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ti4+ is bonded to four O2- atoms to form corner-sharing TiO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.81–1.88 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.69 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and two equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ti4+ atoms.},
doi = {10.17188/1288728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}