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Title: Materials Data on Ta2Pb2O7 by Materials Project

Abstract

Pb2Ta2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and edges with six equivalent PbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. All Ta–O bond lengths are 2.02 Å. Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share edges with six equivalent PbO8 hexagonal bipyramids and edges with six equivalent TaO6 octahedra. There are two shorter (2.34 Å) and six longer (2.82 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pb2+ atoms to form corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ and two equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-755731
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; Ta2Pb2O7; O-Pb-Ta
OSTI Identifier:
1290171
DOI:
10.17188/1290171

Citation Formats

The Materials Project. Materials Data on Ta2Pb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290171.
The Materials Project. Materials Data on Ta2Pb2O7 by Materials Project. United States. doi:10.17188/1290171.
The Materials Project. 2020. "Materials Data on Ta2Pb2O7 by Materials Project". United States. doi:10.17188/1290171. https://www.osti.gov/servlets/purl/1290171. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290171,
title = {Materials Data on Ta2Pb2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2Ta2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and edges with six equivalent PbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. All Ta–O bond lengths are 2.02 Å. Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share edges with six equivalent PbO8 hexagonal bipyramids and edges with six equivalent TaO6 octahedra. There are two shorter (2.34 Å) and six longer (2.82 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pb2+ atoms to form corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1290171},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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