skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on HfPbO3 by Materials Project

Abstract

PbHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 19–22°. All Hf–O bond lengths are 2.10 Å. Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.57–3.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ and three equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-755790
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; HfPbO3; Hf-O-Pb
OSTI Identifier:
1290223
DOI:
10.17188/1290223

Citation Formats

The Materials Project. Materials Data on HfPbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290223.
The Materials Project. Materials Data on HfPbO3 by Materials Project. United States. doi:10.17188/1290223.
The Materials Project. 2020. "Materials Data on HfPbO3 by Materials Project". United States. doi:10.17188/1290223. https://www.osti.gov/servlets/purl/1290223. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1290223,
title = {Materials Data on HfPbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {PbHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 19–22°. All Hf–O bond lengths are 2.10 Å. Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.57–3.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ and three equivalent Pb2+ atoms.},
doi = {10.17188/1290223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: