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Title: Materials Data on Rb2PbO2 by Materials Project

Abstract

Rb2PbO2 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 in a see-saw-like geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.10 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.84 Å) and one longer (2.86 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded to five O2- atoms to form edge-sharing RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.84–3.09 Å. In the fourth Rb1+ site, Rb1+ is bonded to five O2- atoms to form edge-sharing RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.88–3.03 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.15–2.31 Å. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.16–2.28 Å. Theremore » are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five Rb1+ and one Pb2+ atom to form distorted ORb5Pb octahedra that share corners with three equivalent ORb5Pb octahedra, a cornercorner with one ORb3Pb2 trigonal bipyramid, edges with seven ORb5Pb octahedra, and an edgeedge with one ORb3Pb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 13–18°. In the second O2- site, O2- is bonded to four Rb1+ and two equivalent Pb2+ atoms to form distorted ORb4Pb2 octahedra that share corners with three equivalent ORb3Pb2 trigonal bipyramids and edges with eight ORb5Pb octahedra. In the third O2- site, O2- is bonded to five Rb1+ and one Pb2+ atom to form distorted ORb5Pb octahedra that share corners with three equivalent ORb5Pb octahedra, edges with four ORb5Pb octahedra, and edges with three equivalent ORb3Pb2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 13–18°. In the fourth O2- site, O2- is bonded to three Rb1+ and two equivalent Pb2+ atoms to form distorted ORb3Pb2 trigonal bipyramids that share corners with four ORb5Pb octahedra, edges with four ORb5Pb octahedra, and an edgeedge with one ORb3Pb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 29–78°.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504598
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; Rb2PbO2; O-Pb-Rb
OSTI Identifier:
1261829
DOI:
10.17188/1261829

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2PbO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261829.
Persson, Kristin, & Project, Materials. Materials Data on Rb2PbO2 by Materials Project. United States. doi:10.17188/1261829.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2PbO2 by Materials Project". United States. doi:10.17188/1261829. https://www.osti.gov/servlets/purl/1261829. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1261829,
title = {Materials Data on Rb2PbO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2PbO2 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 in a see-saw-like geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.10 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.84 Å) and one longer (2.86 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded to five O2- atoms to form edge-sharing RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.84–3.09 Å. In the fourth Rb1+ site, Rb1+ is bonded to five O2- atoms to form edge-sharing RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.88–3.03 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.15–2.31 Å. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.16–2.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five Rb1+ and one Pb2+ atom to form distorted ORb5Pb octahedra that share corners with three equivalent ORb5Pb octahedra, a cornercorner with one ORb3Pb2 trigonal bipyramid, edges with seven ORb5Pb octahedra, and an edgeedge with one ORb3Pb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 13–18°. In the second O2- site, O2- is bonded to four Rb1+ and two equivalent Pb2+ atoms to form distorted ORb4Pb2 octahedra that share corners with three equivalent ORb3Pb2 trigonal bipyramids and edges with eight ORb5Pb octahedra. In the third O2- site, O2- is bonded to five Rb1+ and one Pb2+ atom to form distorted ORb5Pb octahedra that share corners with three equivalent ORb5Pb octahedra, edges with four ORb5Pb octahedra, and edges with three equivalent ORb3Pb2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 13–18°. In the fourth O2- site, O2- is bonded to three Rb1+ and two equivalent Pb2+ atoms to form distorted ORb3Pb2 trigonal bipyramids that share corners with four ORb5Pb octahedra, edges with four ORb5Pb octahedra, and an edgeedge with one ORb3Pb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 29–78°.},
doi = {10.17188/1261829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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