Materials Data on Rb4SnS4 by Materials Project

doi:10.17188/1204642

Title: Materials Data on Rb4SnS4 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-05-28

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

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                    The Materials Project. Materials Data on Rb4SnS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204642.

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                    The Materials Project. Materials Data on Rb4SnS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204642

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1204642

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