U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf6PbO18 by Materials Project
Abstract
Hf6PbO18 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to six O atoms to form HfO6 octahedra that share corners with six HfO6 octahedra and a faceface with one PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Hf–O bond distances ranging from 2.04–2.11 Å. In the second Hf site, Hf is bonded to six O atoms to form HfO6 octahedra that share corners with six HfO6 octahedra and faces with two equivalent PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are two shorter (2.07 Å) and four longer (2.08 Å) Hf–O bond lengths. Pb is bonded to twelve O atoms to form PbO12 cuboctahedra that share faces with eight HfO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.78–2.83 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Hf atoms. In the second O site, O is bonded in a linear geometry to two Hf and one Pb atom. In the third O site, O is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-675600
- 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; Hf6PbO18; Hf-O-Pb
- OSTI Identifier:
- 1282767
- DOI:
- https://doi.org/10.17188/1282767
Citation Formats
The Materials Project. Materials Data on Hf6PbO18 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282767.
The Materials Project. Materials Data on Hf6PbO18 by Materials Project. United States. doi:https://doi.org/10.17188/1282767
The Materials Project. 2020.
"Materials Data on Hf6PbO18 by Materials Project". United States. doi:https://doi.org/10.17188/1282767. https://www.osti.gov/servlets/purl/1282767. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1282767,
title = {Materials Data on Hf6PbO18 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf6PbO18 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to six O atoms to form HfO6 octahedra that share corners with six HfO6 octahedra and a faceface with one PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Hf–O bond distances ranging from 2.04–2.11 Å. In the second Hf site, Hf is bonded to six O atoms to form HfO6 octahedra that share corners with six HfO6 octahedra and faces with two equivalent PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are two shorter (2.07 Å) and four longer (2.08 Å) Hf–O bond lengths. Pb is bonded to twelve O atoms to form PbO12 cuboctahedra that share faces with eight HfO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.78–2.83 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Hf atoms. In the second O site, O is bonded in a linear geometry to two Hf and one Pb atom. In the third O site, O is bonded in a distorted linear geometry to two equivalent Hf and one Pb atom. In the fourth O site, O is bonded in a linear geometry to two equivalent Hf and one Pb atom. In the fifth O site, O is bonded in a linear geometry to two equivalent Hf atoms. In the sixth O site, O is bonded in a linear geometry to two equivalent Hf atoms. In the seventh O site, O is bonded in a linear geometry to two Hf and one Pb atom.},
doi = {10.17188/1282767},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}