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Title: Materials Data on Rb2ZrO3 by Materials Project

Abstract

Rb2ZrO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.79–2.86 Å. In the second Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.37 Å. Zr4+ is bonded to five O2- atoms to form edge-sharing ZrO5 trigonal bipyramids. There are a spread of Zr–O bond distances ranging from 1.97–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Zr4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-752401
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:
1288533
DOI:
https://doi.org/10.17188/1288533

Citation Formats

The Materials Project. Materials Data on Rb2ZrO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288533.
The Materials Project. Materials Data on Rb2ZrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1288533
The Materials Project. 2020. "Materials Data on Rb2ZrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1288533. https://www.osti.gov/servlets/purl/1288533. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1288533,
title = {Materials Data on Rb2ZrO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ZrO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.79–2.86 Å. In the second Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.37 Å. Zr4+ is bonded to five O2- atoms to form edge-sharing ZrO5 trigonal bipyramids. There are a spread of Zr–O bond distances ranging from 1.97–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Zr4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Zr4+ atoms.},
doi = {10.17188/1288533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}