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Title: Materials Data on ZrPbO3 by Materials Project

Abstract

PbZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.10 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 ZrO6 octahedra. All Pb–O bond lengths are 2.98 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ and four equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-1068577
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; ZrPbO3; O-Pb-Zr
OSTI Identifier:
1745754
DOI:
https://doi.org/10.17188/1745754

Citation Formats

The Materials Project. Materials Data on ZrPbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745754.
The Materials Project. Materials Data on ZrPbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1745754
The Materials Project. 2020. "Materials Data on ZrPbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1745754. https://www.osti.gov/servlets/purl/1745754. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1745754,
title = {Materials Data on ZrPbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {PbZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.10 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 ZrO6 octahedra. All Pb–O bond lengths are 2.98 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ and four equivalent Pb2+ atoms.},
doi = {10.17188/1745754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Works referenced in this record:

Enthalpies of Formation of Lead Zirconate Titanate (PZT) Solid Solutions
journal, November 2001


Synthesis of a solid solution of PbTiO3-PbZrO3-Pb (Mg1/3Nb2/3)O3 system through use of 8-quinolinol and its properties
journal, January 1992