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Title: Materials Data on Rb3ErO3 by Materials Project

Abstract

Rb3ErO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.55 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.92 Å) and two longer (3.18 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.68–3.19 Å. Er3+ is bonded to four O2- atoms to form edge-sharing ErO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.09–2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Er3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Rb1+ and two equivalent Er3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-757116
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; Rb3ErO3; Er-O-Rb
OSTI Identifier:
1290711
DOI:
10.17188/1290711

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb3ErO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290711.
Persson, Kristin, & Project, Materials. Materials Data on Rb3ErO3 by Materials Project. United States. doi:10.17188/1290711.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb3ErO3 by Materials Project". United States. doi:10.17188/1290711. https://www.osti.gov/servlets/purl/1290711. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290711,
title = {Materials Data on Rb3ErO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb3ErO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.55 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.92 Å) and two longer (3.18 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.68–3.19 Å. Er3+ is bonded to four O2- atoms to form edge-sharing ErO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.09–2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Er3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Rb1+ and two equivalent Er3+ atoms.},
doi = {10.17188/1290711},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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