Materials Data on CaSnS3 by Materials Project

doi:10.17188/1311724

Title: Materials Data on CaSnS3 by Materials Project

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Abstract

CaSnS3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are two shorter (2.78 Å) and four longer (2.85 Å) Ca–S bond lengths. Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.55 Å) and two longer (3.14 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Ca2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and two equivalent Sn4+ atoms.

Publication Date:: 2020-07-20

Other Number(s):: mp-866894

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; Ca-S-Sn; CaSnS3; crystal structure

OSTI Identifier:: 1311724

DOI:: https://doi.org/10.17188/1311724

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                    Materials Data on CaSnS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311724.

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                    Materials Data on CaSnS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1311724

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                    2020.  
"Materials Data on CaSnS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1311724.  https://www.osti.gov/servlets/purl/1311724. Pub date:Mon Jul 20 04:00:00 UTC 2020

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@article{osti_1311724,

  title        = {Materials Data on CaSnS3 by Materials Project},

  
  abstractNote = {CaSnS3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are two shorter (2.78 Å) and four longer (2.85 Å) Ca–S bond lengths. Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.55 Å) and two longer (3.14 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Ca2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and two equivalent Sn4+ atoms.},

  doi          = {10.17188/1311724},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1311724

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