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Title: Materials Data on Rb3ClO by Materials Project

Abstract

Rb3OCl is Orthorhombic Perovskite structured and 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 in a 4-coordinate geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Rb–O bond lengths are 2.80 Å. There are one shorter (3.35 Å) and one longer (3.48 Å) Rb–Cl bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to two equivalent O2- and three equivalent Cl1- atoms. Both Rb–O bond lengths are 2.81 Å. There are a spread of Rb–Cl bond distances ranging from 3.34–3.88 Å. O2- is bonded to six Rb1+ atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedra tilt angles range from 24–27°. Cl1- is bonded in a 8-coordinate geometry to eight Rb1+ atoms.

Publication Date:
Other Number(s):
mp-756979
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; Rb3ClO; Cl-O-Rb
OSTI Identifier:
1290676
DOI:
https://doi.org/10.17188/1290676

Citation Formats

The Materials Project. Materials Data on Rb3ClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290676.
The Materials Project. Materials Data on Rb3ClO by Materials Project. United States. doi:https://doi.org/10.17188/1290676
The Materials Project. 2020. "Materials Data on Rb3ClO by Materials Project". United States. doi:https://doi.org/10.17188/1290676. https://www.osti.gov/servlets/purl/1290676. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290676,
title = {Materials Data on Rb3ClO by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3OCl is Orthorhombic Perovskite structured and 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 in a 4-coordinate geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Rb–O bond lengths are 2.80 Å. There are one shorter (3.35 Å) and one longer (3.48 Å) Rb–Cl bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to two equivalent O2- and three equivalent Cl1- atoms. Both Rb–O bond lengths are 2.81 Å. There are a spread of Rb–Cl bond distances ranging from 3.34–3.88 Å. O2- is bonded to six Rb1+ atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedra tilt angles range from 24–27°. Cl1- is bonded in a 8-coordinate geometry to eight Rb1+ atoms.},
doi = {10.17188/1290676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}