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

Abstract

RbIn(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 InO6 octahedra. There are six shorter (3.15 Å) and six longer (3.47 Å) Rb–O bond lengths. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent InO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. There is one shorter (1.78 Å) and three longer (1.83 Å) W–O bond length. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent WO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All In–O bond lengths are 2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one W6+, and one In3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one W6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504667
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; RbIn(WO4)2; In-O-Rb-W
OSTI Identifier:
1261899
DOI:
10.17188/1261899

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbIn(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261899.
Persson, Kristin, & Project, Materials. Materials Data on RbIn(WO4)2 by Materials Project. United States. doi:10.17188/1261899.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbIn(WO4)2 by Materials Project". United States. doi:10.17188/1261899. https://www.osti.gov/servlets/purl/1261899. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1261899,
title = {Materials Data on RbIn(WO4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbIn(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 InO6 octahedra. There are six shorter (3.15 Å) and six longer (3.47 Å) Rb–O bond lengths. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent InO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. There is one shorter (1.78 Å) and three longer (1.83 Å) W–O bond length. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent WO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All In–O bond lengths are 2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one W6+, and one In3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one W6+ atom.},
doi = {10.17188/1261899},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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