Materials Data on Rb2Sn3(SbS5)2 by Materials Project

doi:10.17188/1700742

Title: Materials Data on Rb2Sn3(SbS5)2 by Materials Project

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Abstract

Rb2Sn3(SbS5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–4.01 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six S2- atoms to form edge-sharing SnS6 octahedra. There are a spread of Sn–S bond distances ranging from 2.57–2.63 Å. In the second Sn4+ site, Sn4+ is bonded to five S2- atoms to form distorted SnS5 trigonal bipyramids that share an edgeedge with one SnS6 octahedra and an edgeedge with one SnS5 trigonal bipyramid. There are a spread of Sn–S bond distances ranging from 2.42–2.97 Å. Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.47–2.54 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Rb1+, one Sn4+, and one Sb3+ atom to form distorted corner-sharing SRb2SnSb trigonal pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+, two Sn4+, and one Sb3+ atom. In the third S2- site, S2- is bondedmore »« less

Publication Date:: 2020-05-02

Other Number(s):: mp-1194540

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Rb-S-Sb-Sn; Rb2Sn3(SbS5)2; crystal structure

OSTI Identifier:: 1700742

DOI:: https://doi.org/10.17188/1700742

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                    Materials Data on Rb2Sn3(SbS5)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1700742.

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                    Materials Data on Rb2Sn3(SbS5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1700742

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                    2020.  
"Materials Data on Rb2Sn3(SbS5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1700742.  https://www.osti.gov/servlets/purl/1700742. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1700742,

  title        = {Materials Data on Rb2Sn3(SbS5)2 by Materials Project},

  
  abstractNote = {Rb2Sn3(SbS5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–4.01 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six S2- atoms to form edge-sharing SnS6 octahedra. There are a spread of Sn–S bond distances ranging from 2.57–2.63 Å. In the second Sn4+ site, Sn4+ is bonded to five S2- atoms to form distorted SnS5 trigonal bipyramids that share an edgeedge with one SnS6 octahedra and an edgeedge with one SnS5 trigonal bipyramid. There are a spread of Sn–S bond distances ranging from 2.42–2.97 Å. Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.47–2.54 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Rb1+, one Sn4+, and one Sb3+ atom to form distorted corner-sharing SRb2SnSb trigonal pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+, two Sn4+, and one Sb3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sn4+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Sn4+, and one Sb3+ atom. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Sn4+ atoms.},

  doi          = {10.17188/1700742},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1700742

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