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Title: Materials Data on RbGa(SO4)2 by Materials Project

Abstract

RbGa(SO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form distorted RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent SO4 tetrahedra, and faces with two equivalent GaO6 pentagonal pyramids. There are six shorter (3.02 Å) and six longer (3.41 Å) Rb–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form distorted GaO6 pentagonal pyramids that share corners with six equivalent SO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Ga–O bond lengths are 2.00 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent GaO6 pentagonal pyramids and edges with three equivalent RbO12 cuboctahedra. There is one shorter (1.46 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+, one Ga3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom.

Publication Date:
Other Number(s):
mp-1209213
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; RbGa(SO4)2; Ga-O-Rb-S
OSTI Identifier:
1667175
DOI:
https://doi.org/10.17188/1667175

Citation Formats

The Materials Project. Materials Data on RbGa(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667175.
The Materials Project. Materials Data on RbGa(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1667175
The Materials Project. 2020. "Materials Data on RbGa(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1667175. https://www.osti.gov/servlets/purl/1667175. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1667175,
title = {Materials Data on RbGa(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbGa(SO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form distorted RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent SO4 tetrahedra, and faces with two equivalent GaO6 pentagonal pyramids. There are six shorter (3.02 Å) and six longer (3.41 Å) Rb–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form distorted GaO6 pentagonal pyramids that share corners with six equivalent SO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Ga–O bond lengths are 2.00 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent GaO6 pentagonal pyramids and edges with three equivalent RbO12 cuboctahedra. There is one shorter (1.46 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+, one Ga3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom.},
doi = {10.17188/1667175},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}