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Title: Materials Data on RbPbCl3 by Materials Project

Abstract

RbPbCl3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.31–3.69 Å. Pb2+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (2.90 Å) and four longer (2.95 Å) Pb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to three equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted ClRb3Pb2 trigonal bipyramids that share corners with four equivalent ClRb2Pb2 tetrahedra, corners with nine equivalent ClRb3Pb2 trigonal bipyramids, edges with three equivalent ClRb2Pb2 tetrahedra, and edges with six equivalent ClRb3Pb2 trigonal bipyramids. In the second Cl1- site, Cl1- is bonded to two equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted ClRb2Pb2 tetrahedra that share corners with four equivalent ClRb2Pb2 tetrahedra, corners with eight equivalent ClRb3Pb2 trigonal bipyramids, and edges with six equivalent ClRb3Pb2 trigonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-998604
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbPbCl3; Cl-Pb-Rb
OSTI Identifier:
1317362
DOI:
https://doi.org/10.17188/1317362

Citation Formats

The Materials Project. Materials Data on RbPbCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317362.
The Materials Project. Materials Data on RbPbCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317362
The Materials Project. 2020. "Materials Data on RbPbCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317362. https://www.osti.gov/servlets/purl/1317362. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1317362,
title = {Materials Data on RbPbCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbPbCl3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.31–3.69 Å. Pb2+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (2.90 Å) and four longer (2.95 Å) Pb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to three equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted ClRb3Pb2 trigonal bipyramids that share corners with four equivalent ClRb2Pb2 tetrahedra, corners with nine equivalent ClRb3Pb2 trigonal bipyramids, edges with three equivalent ClRb2Pb2 tetrahedra, and edges with six equivalent ClRb3Pb2 trigonal bipyramids. In the second Cl1- site, Cl1- is bonded to two equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted ClRb2Pb2 tetrahedra that share corners with four equivalent ClRb2Pb2 tetrahedra, corners with eight equivalent ClRb3Pb2 trigonal bipyramids, and edges with six equivalent ClRb3Pb2 trigonal bipyramids.},
doi = {10.17188/1317362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}