Materials Data on RbTiS2 by Materials Project

doi:10.17188/1191773

Title: Materials Data on RbTiS2 by Materials Project

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Abstract

RbTiS2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (3.22 Å) and three longer (3.28 Å) Rb–S bond lengths. Ti3+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. There are three shorter (2.52 Å) and three longer (2.53 Å) Ti–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent Ti3+ atoms. In the second S2- site, S2- is bonded to three equivalent Rb1+ and three equivalent Ti3+ atoms to form distorted edge-sharing SRb3Ti3 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-16318

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; RbTiS2; Rb-S-Ti

OSTI Identifier:: 1191773

DOI:: https://doi.org/10.17188/1191773

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                    The Materials Project. Materials Data on RbTiS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191773.

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                    The Materials Project. Materials Data on RbTiS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191773

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                    The Materials Project. 2020.  
"Materials Data on RbTiS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191773.  https://www.osti.gov/servlets/purl/1191773. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191773,

  title        = {Materials Data on RbTiS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbTiS2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (3.22 Å) and three longer (3.28 Å) Rb–S bond lengths. Ti3+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. There are three shorter (2.52 Å) and three longer (2.53 Å) Ti–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent Ti3+ atoms. In the second S2- site, S2- is bonded to three equivalent Rb1+ and three equivalent Ti3+ atoms to form distorted edge-sharing SRb3Ti3 octahedra.},

  doi          = {10.17188/1191773},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191773

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