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Title: Materials Data on Rb4PbO4 by Materials Project

Abstract

Rb4PbO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 trigonal pyramids that share corners with four equivalent PbO4 tetrahedra, corners with two equivalent RbO5 trigonal bipyramids, and edges with two equivalent RbO4 trigonal pyramids. There are a spread of Rb–O bond distances ranging from 2.80–2.84 Å. In the second Rb1+ site, Rb1+ is bonded to five O2- atoms to form distorted RbO5 trigonal bipyramids that share corners with three equivalent PbO4 tetrahedra, corners with two equivalent RbO4 trigonal pyramids, an edgeedge with one PbO4 tetrahedra, and edges with two equivalent RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.77–3.10 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.36 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.16 Å. Pb4+ is bonded to four O2- atoms to form PbO4 tetrahedra that share cornersmore » with three equivalent RbO5 trigonal bipyramids, corners with four equivalent RbO4 trigonal pyramids, and an edgeedge with one RbO5 trigonal bipyramid. There are a spread of Pb–O bond distances ranging from 2.11–2.13 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Rb1+ and one Pb4+ atom. In the second O2- site, O2- is bonded to five Rb1+ and one Pb4+ atom to form a mixture of edge and corner-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 12–32°. In the third O2- site, O2- is bonded to five Rb1+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 20–21°. In the fourth O2- site, O2- is bonded to five Rb1+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 12–32°.« less

Publication Date:
Other Number(s):
mp-756746
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; Rb4PbO4; O-Pb-Rb
OSTI Identifier:
1290614
DOI:
https://doi.org/10.17188/1290614

Citation Formats

The Materials Project. Materials Data on Rb4PbO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290614.
The Materials Project. Materials Data on Rb4PbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290614
The Materials Project. 2020. "Materials Data on Rb4PbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1290614. https://www.osti.gov/servlets/purl/1290614. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1290614,
title = {Materials Data on Rb4PbO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4PbO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 trigonal pyramids that share corners with four equivalent PbO4 tetrahedra, corners with two equivalent RbO5 trigonal bipyramids, and edges with two equivalent RbO4 trigonal pyramids. There are a spread of Rb–O bond distances ranging from 2.80–2.84 Å. In the second Rb1+ site, Rb1+ is bonded to five O2- atoms to form distorted RbO5 trigonal bipyramids that share corners with three equivalent PbO4 tetrahedra, corners with two equivalent RbO4 trigonal pyramids, an edgeedge with one PbO4 tetrahedra, and edges with two equivalent RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.77–3.10 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.36 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.16 Å. Pb4+ is bonded to four O2- atoms to form PbO4 tetrahedra that share corners with three equivalent RbO5 trigonal bipyramids, corners with four equivalent RbO4 trigonal pyramids, and an edgeedge with one RbO5 trigonal bipyramid. There are a spread of Pb–O bond distances ranging from 2.11–2.13 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Rb1+ and one Pb4+ atom. In the second O2- site, O2- is bonded to five Rb1+ and one Pb4+ atom to form a mixture of edge and corner-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 12–32°. In the third O2- site, O2- is bonded to five Rb1+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 20–21°. In the fourth O2- site, O2- is bonded to five Rb1+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 12–32°.},
doi = {10.17188/1290614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}