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Title: Materials Data on Rb3Na(WO4)2 by Materials Project

Abstract

Rb3Na(WO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 3.14 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.65–3.38 Å. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent WO4 tetrahedra. All Na–O bond lengths are 2.51 Å. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There is one shorter (1.81 Å) and three longer (1.82 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+, one Na1+, and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Rb1+ and one W6+ atom.

Publication Date:
Other Number(s):
mp-1104817
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; Rb3Na(WO4)2; Na-O-Rb-W
OSTI Identifier:
1694521
DOI:
https://doi.org/10.17188/1694521

Citation Formats

The Materials Project. Materials Data on Rb3Na(WO4)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1694521.
The Materials Project. Materials Data on Rb3Na(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1694521
The Materials Project. 2018. "Materials Data on Rb3Na(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1694521. https://www.osti.gov/servlets/purl/1694521. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1694521,
title = {Materials Data on Rb3Na(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3Na(WO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 3.14 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.65–3.38 Å. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent WO4 tetrahedra. All Na–O bond lengths are 2.51 Å. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There is one shorter (1.81 Å) and three longer (1.82 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+, one Na1+, and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Rb1+ and one W6+ atom.},
doi = {10.17188/1694521},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}