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Title: Materials Data on Sb2Pb2O7 by Materials Project

Abstract

Pb2Sb2O7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.73 Å. In the second Pb2+ site, Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share corners with two equivalent PbO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, and edges with six SbO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Pb–O bond distances ranging from 2.47–2.93 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with four equivalent PbO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–43°. There are a spread of Sb–O bond distances ranging from 2.01–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent PbO8 hexagonal bipyramids, corners with four equivalent SbO6 octahedra, and edges with two equivalent PbO8 hexagonal bipyramids.more » The corner-sharing octahedral tilt angles are 41°. There are a spread of Sb–O bond distances ranging from 1.96–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Pb2+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Pb2+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Pb2+ and two equivalent Sb5+ atoms.« less

Publication Date:
Other Number(s):
mp-633099
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; Sb2Pb2O7; O-Pb-Sb
OSTI Identifier:
1279360
DOI:
10.17188/1279360

Citation Formats

The Materials Project. Materials Data on Sb2Pb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279360.
The Materials Project. Materials Data on Sb2Pb2O7 by Materials Project. United States. doi:10.17188/1279360.
The Materials Project. 2020. "Materials Data on Sb2Pb2O7 by Materials Project". United States. doi:10.17188/1279360. https://www.osti.gov/servlets/purl/1279360. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1279360,
title = {Materials Data on Sb2Pb2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2Sb2O7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.73 Å. In the second Pb2+ site, Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share corners with two equivalent PbO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, and edges with six SbO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Pb–O bond distances ranging from 2.47–2.93 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with four equivalent PbO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–43°. There are a spread of Sb–O bond distances ranging from 2.01–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent PbO8 hexagonal bipyramids, corners with four equivalent SbO6 octahedra, and edges with two equivalent PbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Sb–O bond distances ranging from 1.96–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Pb2+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Pb2+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Pb2+ and two equivalent Sb5+ atoms.},
doi = {10.17188/1279360},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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