Materials Data on Cs(SbS2)2 by Materials Project

doi:10.17188/1312812

Title: Materials Data on Cs(SbS2)2 by Materials Project

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Abstract

Cs(SbS2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine S+1.75- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.88 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.96 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.85 Å. There are four inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two Sb3+ atoms. In the second S+1.75- site, S+1.75- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two Sb3+ atoms. In the third S+1.75- site, S+1.75- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sb3+, and one S+1.75- atom. The S–S bond length is 2.09 Å. In the fourth S+1.75- site, S+1.75- is bonded to one Cs1+ and three Sb3+ atoms to form distorted edge-sharing SCsSb3 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-8890

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; Cs(SbS2)2; Cs-S-Sb

OSTI Identifier:: 1312812

DOI:: https://doi.org/10.17188/1312812

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                    The Materials Project. Materials Data on Cs(SbS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312812.

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                    The Materials Project. Materials Data on Cs(SbS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312812

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                    The Materials Project. 2020.  
"Materials Data on Cs(SbS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312812.  https://www.osti.gov/servlets/purl/1312812. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1312812,

  title        = {Materials Data on Cs(SbS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs(SbS2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine S+1.75- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.88 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.96 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.85 Å. There are four inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two Sb3+ atoms. In the second S+1.75- site, S+1.75- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two Sb3+ atoms. In the third S+1.75- site, S+1.75- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sb3+, and one S+1.75- atom. The S–S bond length is 2.09 Å. In the fourth S+1.75- site, S+1.75- is bonded to one Cs1+ and three Sb3+ atoms to form distorted edge-sharing SCsSb3 trigonal pyramids.},

  doi          = {10.17188/1312812},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1312812

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