Materials Data on Sn3Ir2S3 by Materials Project

doi:10.17188/1688155

Title: Materials Data on Sn3Ir2S3 by Materials Project

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Abstract

Ir2Sn3S3 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ir is bonded to three equivalent Sn and three equivalent S atoms to form distorted corner-sharing IrSn3S3 octahedra. The corner-sharing octahedra tilt angles range from 49–62°. All Ir–Sn bond lengths are 2.72 Å. All Ir–S bond lengths are 2.32 Å. Sn is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Sn atoms. There are one shorter (2.87 Å) and one longer (3.11 Å) Sn–Sn bond lengths. S is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir and one S atom. The S–S bond length is 2.29 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1196117

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; Sn3Ir2S3; Ir-S-Sn

OSTI Identifier:: 1688155

DOI:: https://doi.org/10.17188/1688155

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                    The Materials Project. Materials Data on Sn3Ir2S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1688155.

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                    The Materials Project. Materials Data on Sn3Ir2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688155

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                    The Materials Project. 2020.  
"Materials Data on Sn3Ir2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688155.  https://www.osti.gov/servlets/purl/1688155. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1688155,

  title        = {Materials Data on Sn3Ir2S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ir2Sn3S3 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ir is bonded to three equivalent Sn and three equivalent S atoms to form distorted corner-sharing IrSn3S3 octahedra. The corner-sharing octahedra tilt angles range from 49–62°. All Ir–Sn bond lengths are 2.72 Å. All Ir–S bond lengths are 2.32 Å. Sn is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Sn atoms. There are one shorter (2.87 Å) and one longer (3.11 Å) Sn–Sn bond lengths. S is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir and one S atom. The S–S bond length is 2.29 Å.},

  doi          = {10.17188/1688155},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1688155

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