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Title: Materials Data on Rb4SnS4 by Materials Project

Abstract

Rb4SnS4 crystallizes in the cubic P-43n 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 S2- atoms. There are a spread of Rb–S bond distances ranging from 3.35–3.67 Å. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form distorted RbS6 octahedra that share corners with three equivalent SnS4 tetrahedra, edges with three equivalent RbS6 octahedra, and a faceface with one SnS4 tetrahedra. There are three shorter (3.44 Å) and three longer (3.64 Å) Rb–S bond lengths. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent RbS6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sn–S bond lengths are 2.42 Å. In the second Sn4+ site, Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share faces with four equivalent RbS6 octahedra. All Sn–S bond lengths are 2.42 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sn4+ atom.more » In the second S2- site, S2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sn4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-30230
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb4SnS4; Rb-S-Sn
OSTI Identifier:
1204642
DOI:
https://doi.org/10.17188/1204642

Citation Formats

The Materials Project. Materials Data on Rb4SnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204642.
The Materials Project. Materials Data on Rb4SnS4 by Materials Project. United States. doi:https://doi.org/10.17188/1204642
The Materials Project. 2020. "Materials Data on Rb4SnS4 by Materials Project". United States. doi:https://doi.org/10.17188/1204642. https://www.osti.gov/servlets/purl/1204642. Pub date:Thu May 28 00:00:00 EDT 2020
@article{osti_1204642,
title = {Materials Data on Rb4SnS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4SnS4 crystallizes in the cubic P-43n 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 S2- atoms. There are a spread of Rb–S bond distances ranging from 3.35–3.67 Å. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form distorted RbS6 octahedra that share corners with three equivalent SnS4 tetrahedra, edges with three equivalent RbS6 octahedra, and a faceface with one SnS4 tetrahedra. There are three shorter (3.44 Å) and three longer (3.64 Å) Rb–S bond lengths. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent RbS6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sn–S bond lengths are 2.42 Å. In the second Sn4+ site, Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share faces with four equivalent RbS6 octahedra. All Sn–S bond lengths are 2.42 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sn4+ atom.},
doi = {10.17188/1204642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}