U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrPbO3 by Materials Project
Abstract
PbZrO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 13–18°. There are a spread of Zr–O bond distances ranging from 2.04–2.27 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–3.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and three equivalent Pb2+ atoms.
- Publication Date:
- Other Number(s):
- mp-20337
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; O-Pb-Zr; ZrPbO3
- OSTI Identifier:
- 1195459
- DOI:
- https://doi.org/10.17188/1195459
Citation Formats
Materials Data on ZrPbO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195459.
Materials Data on ZrPbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1195459
2020.
"Materials Data on ZrPbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1195459. https://www.osti.gov/servlets/purl/1195459. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1195459,
title = {Materials Data on ZrPbO3 by Materials Project},
abstractNote = {PbZrO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Zr4+ is bonded to six O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 13–18°. There are a spread of Zr–O bond distances ranging from 2.04–2.27 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–3.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and three equivalent Pb2+ atoms.},
doi = {10.17188/1195459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}