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Title: Materials Data on TiPbO3 by Materials Project

Abstract

PbTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.98 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Pb–O bond lengths are 2.81 Å. O2- is bonded in a linear geometry to two equivalent Ti4+ and four equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-19845
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; TiPbO3; O-Pb-Ti
OSTI Identifier:
1195038
DOI:
https://doi.org/10.17188/1195038

Citation Formats

The Materials Project. Materials Data on TiPbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195038.
The Materials Project. Materials Data on TiPbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1195038
The Materials Project. 2020. "Materials Data on TiPbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1195038. https://www.osti.gov/servlets/purl/1195038. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1195038,
title = {Materials Data on TiPbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {PbTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.98 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Pb–O bond lengths are 2.81 Å. O2- is bonded in a linear geometry to two equivalent Ti4+ and four equivalent Pb2+ atoms.},
doi = {10.17188/1195038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}