U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaPbO3 by Materials Project
Abstract
BaPbO3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.79 Å) and four longer (3.05 Å) Ba–O bond lengths. Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. There are four shorter (2.21 Å) and two longer (2.22 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Pb4+ atoms. In the second O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OBa4Pb2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-20991
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; BaPbO3; Ba-O-Pb
- OSTI Identifier:
- 1196224
- DOI:
- https://doi.org/10.17188/1196224
Citation Formats
The Materials Project. Materials Data on BaPbO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1196224.
The Materials Project. Materials Data on BaPbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1196224
The Materials Project. 2020.
"Materials Data on BaPbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1196224. https://www.osti.gov/servlets/purl/1196224. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1196224,
title = {Materials Data on BaPbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaPbO3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.79 Å) and four longer (3.05 Å) Ba–O bond lengths. Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. There are four shorter (2.21 Å) and two longer (2.22 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Pb4+ atoms. In the second O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OBa4Pb2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1196224},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}