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

Abstract

RbYb(WO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent WO4 tetrahedra, and faces with two equivalent YbO6 octahedra. There are six shorter (3.30 Å) and six longer (3.59 Å) Rb–O bond lengths. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent WO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Yb–O bond lengths are 2.29 Å. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent YbO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. There is one shorter (1.80 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 2-coordinate geometry to one Rb1+, one Yb3+, and one W6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one W6+ atom.

Publication Date:
Other Number(s):
mp-1209118
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; RbYb(WO4)2; O-Rb-W-Yb
OSTI Identifier:
1652182
DOI:
https://doi.org/10.17188/1652182

Citation Formats

The Materials Project. Materials Data on RbYb(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652182.
The Materials Project. Materials Data on RbYb(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652182
The Materials Project. 2020. "Materials Data on RbYb(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652182. https://www.osti.gov/servlets/purl/1652182. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1652182,
title = {Materials Data on RbYb(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbYb(WO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent WO4 tetrahedra, and faces with two equivalent YbO6 octahedra. There are six shorter (3.30 Å) and six longer (3.59 Å) Rb–O bond lengths. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent WO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Yb–O bond lengths are 2.29 Å. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent YbO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. There is one shorter (1.80 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 2-coordinate geometry to one Rb1+, one Yb3+, and one W6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one W6+ atom.},
doi = {10.17188/1652182},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}