DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Rb3PbCl5 by Materials Project

Abstract

Rb3PbCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and corner-sharing RbCl7 pentagonal bipyramids. There are a spread of Rb–Cl bond distances ranging from 3.26–3.66 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.29–3.50 Å. Pb2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.73–3.48 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Pb2+ atoms. In the second Cl1- site, Cl1- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted edge, corner, and face-sharing ClRb5Pb octahedra. The corner-sharing octahedra tilt angles range from 37–38°. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Pb2+ atom.

Publication Date:
Other Number(s):
mp-29883
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; Rb3PbCl5; Cl-Pb-Rb
OSTI Identifier:
1204317
DOI:
https://doi.org/10.17188/1204317

Citation Formats

The Materials Project. Materials Data on Rb3PbCl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204317.
The Materials Project. Materials Data on Rb3PbCl5 by Materials Project. United States. doi:https://doi.org/10.17188/1204317
The Materials Project. 2020. "Materials Data on Rb3PbCl5 by Materials Project". United States. doi:https://doi.org/10.17188/1204317. https://www.osti.gov/servlets/purl/1204317. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1204317,
title = {Materials Data on Rb3PbCl5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3PbCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and corner-sharing RbCl7 pentagonal bipyramids. There are a spread of Rb–Cl bond distances ranging from 3.26–3.66 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.29–3.50 Å. Pb2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.73–3.48 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Pb2+ atoms. In the second Cl1- site, Cl1- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted edge, corner, and face-sharing ClRb5Pb octahedra. The corner-sharing octahedra tilt angles range from 37–38°. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Pb2+ atom.},
doi = {10.17188/1204317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}