DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Rb3YO3 by Materials Project

Abstract

Rb3YO3 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 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.68–3.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.84 Å) and two longer (3.25 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.93 Å) and two longer (3.23 Å) Rb–O bond lengths. Y3+ is bonded to four O2- atoms to form edge-sharing YO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.13–2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Y3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Y3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-754146
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb3YO3; O-Rb-Y
OSTI Identifier:
1289265
DOI:
https://doi.org/10.17188/1289265

Citation Formats

The Materials Project. Materials Data on Rb3YO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289265.
The Materials Project. Materials Data on Rb3YO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289265
The Materials Project. 2020. "Materials Data on Rb3YO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289265. https://www.osti.gov/servlets/purl/1289265. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1289265,
title = {Materials Data on Rb3YO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3YO3 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 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.68–3.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.84 Å) and two longer (3.25 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.93 Å) and two longer (3.23 Å) Rb–O bond lengths. Y3+ is bonded to four O2- atoms to form edge-sharing YO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.13–2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Y3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Y3+ atom.},
doi = {10.17188/1289265},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}