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Title: Materials Data on Rb2ZrO3 by Materials Project

Abstract

Rb2ZrO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.23 Å. Zr4+ is bonded to five O2- atoms to form distorted edge-sharing ZrO5 trigonal bipyramids. There are a spread of Zr–O bond distances ranging from 1.94–2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Zr4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-756156
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; Rb2ZrO3; O-Rb-Zr
OSTI Identifier:
1290424
DOI:
10.17188/1290424

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2ZrO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290424.
Persson, Kristin, & Project, Materials. Materials Data on Rb2ZrO3 by Materials Project. United States. doi:10.17188/1290424.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2ZrO3 by Materials Project". United States. doi:10.17188/1290424. https://www.osti.gov/servlets/purl/1290424. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290424,
title = {Materials Data on Rb2ZrO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2ZrO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.23 Å. Zr4+ is bonded to five O2- atoms to form distorted edge-sharing ZrO5 trigonal bipyramids. There are a spread of Zr–O bond distances ranging from 1.94–2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Zr4+ atom.},
doi = {10.17188/1290424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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