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Title: Materials Data on RbPbCl3 by Materials Project

Abstract

RbPbCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.93–4.15 Å. Pb2+ is bonded to six Cl1- atoms to form corner-sharing PbCl6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are one shorter (2.85 Å) and five longer (2.86 Å) Pb–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-998605
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; RbPbCl3; Cl-Pb-Rb
OSTI Identifier:
1317363
DOI:
https://doi.org/10.17188/1317363

Citation Formats

The Materials Project. Materials Data on RbPbCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317363.
The Materials Project. Materials Data on RbPbCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317363
The Materials Project. 2020. "Materials Data on RbPbCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317363. https://www.osti.gov/servlets/purl/1317363. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317363,
title = {Materials Data on RbPbCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbPbCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.93–4.15 Å. Pb2+ is bonded to six Cl1- atoms to form corner-sharing PbCl6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are one shorter (2.85 Å) and five longer (2.86 Å) Pb–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1317363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}