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

Abstract

RbTl(SO4)2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form distorted RbO12 cuboctahedra that share corners with six equivalent TlO6 pentagonal pyramids, edges with six equivalent RbO12 cuboctahedra, and edges with six equivalent SO4 tetrahedra. There are six shorter (3.06 Å) and six longer (3.48 Å) Rb–O bond lengths. Tl3+ is bonded to six equivalent O2- atoms to form distorted TlO6 pentagonal pyramids that share corners with six equivalent RbO12 cuboctahedra and corners with six equivalent SO4 tetrahedra. All Tl–O bond lengths are 2.29 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent TlO6 pentagonal pyramids and edges with three equivalent RbO12 cuboctahedra. There is one shorter (1.46 Å) and three longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Tl3+, and one S6+ atom.

Publication Date:
Other Number(s):
mp-556120
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; RbTl(SO4)2; O-Rb-S-Tl
OSTI Identifier:
1269182
DOI:
https://doi.org/10.17188/1269182

Citation Formats

The Materials Project. Materials Data on RbTl(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269182.
The Materials Project. Materials Data on RbTl(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1269182
The Materials Project. 2020. "Materials Data on RbTl(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1269182. https://www.osti.gov/servlets/purl/1269182. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269182,
title = {Materials Data on RbTl(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbTl(SO4)2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form distorted RbO12 cuboctahedra that share corners with six equivalent TlO6 pentagonal pyramids, edges with six equivalent RbO12 cuboctahedra, and edges with six equivalent SO4 tetrahedra. There are six shorter (3.06 Å) and six longer (3.48 Å) Rb–O bond lengths. Tl3+ is bonded to six equivalent O2- atoms to form distorted TlO6 pentagonal pyramids that share corners with six equivalent RbO12 cuboctahedra and corners with six equivalent SO4 tetrahedra. All Tl–O bond lengths are 2.29 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent TlO6 pentagonal pyramids and edges with three equivalent RbO12 cuboctahedra. There is one shorter (1.46 Å) and three longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Tl3+, and one S6+ atom.},
doi = {10.17188/1269182},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}