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Title: Materials Data on RbPbBr3 by Materials Project

Abstract

RbPbBr3 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 Br1- atoms. There are a spread of Rb–Br bond distances ranging from 4.13–4.33 Å. Pb2+ is bonded to six Br1- atoms to form corner-sharing PbBr6 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. There are three shorter (2.99 Å) and three longer (3.00 Å) Pb–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms. In the third Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-998176
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; RbPbBr3; Br-Pb-Rb
OSTI Identifier:
1282063
DOI:
10.17188/1282063

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbPbBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282063.
Persson, Kristin, & Project, Materials. Materials Data on RbPbBr3 by Materials Project. United States. doi:10.17188/1282063.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbPbBr3 by Materials Project". United States. doi:10.17188/1282063. https://www.osti.gov/servlets/purl/1282063. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1282063,
title = {Materials Data on RbPbBr3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbPbBr3 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 Br1- atoms. There are a spread of Rb–Br bond distances ranging from 4.13–4.33 Å. Pb2+ is bonded to six Br1- atoms to form corner-sharing PbBr6 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. There are three shorter (2.99 Å) and three longer (3.00 Å) Pb–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms. In the third Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1282063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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