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Title: Materials Data on Ta2PbO6 by Materials Project

Abstract

PbTa2O6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–37°. There are a spread of Ta–O bond distances ranging from 1.93–2.13 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.60–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ and one Pb2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-771957
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; Ta2PbO6; O-Pb-Ta
OSTI Identifier:
1300962
DOI:
https://doi.org/10.17188/1300962

Citation Formats

The Materials Project. Materials Data on Ta2PbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300962.
The Materials Project. Materials Data on Ta2PbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1300962
The Materials Project. 2020. "Materials Data on Ta2PbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1300962. https://www.osti.gov/servlets/purl/1300962. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1300962,
title = {Materials Data on Ta2PbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {PbTa2O6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–37°. There are a spread of Ta–O bond distances ranging from 1.93–2.13 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.60–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ and one Pb2+ atom.},
doi = {10.17188/1300962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}