Materials Data on SnIrSe2 by Materials Project

doi:10.17188/1279056

Title: Materials Data on SnIrSe2 by Materials Project

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Abstract

IrSnSe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to four equivalent Sn and four equivalent Se atoms. All Ir–Sn bond lengths are 2.92 Å. All Ir–Se bond lengths are 2.92 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Se atoms. All Sn–Se bond lengths are 2.92 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four equivalent Sn and four equivalent Se atoms to form distorted edge-sharing SeSn4Se4 tetrahedra. All Se–Se bond lengths are 2.92 Å. In the second Se site, Se is bonded in a distorted body-centered cubic geometry to four equivalent Ir and four equivalent Se atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-631308

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; SnIrSe2; Ir-Se-Sn

OSTI Identifier:: 1279056

DOI:: https://doi.org/10.17188/1279056

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                    The Materials Project. Materials Data on SnIrSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279056.

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                    The Materials Project. Materials Data on SnIrSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279056

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                    The Materials Project. 2020.  
"Materials Data on SnIrSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279056.  https://www.osti.gov/servlets/purl/1279056. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1279056,

  title        = {Materials Data on SnIrSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {IrSnSe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to four equivalent Sn and four equivalent Se atoms. All Ir–Sn bond lengths are 2.92 Å. All Ir–Se bond lengths are 2.92 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Se atoms. All Sn–Se bond lengths are 2.92 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four equivalent Sn and four equivalent Se atoms to form distorted edge-sharing SeSn4Se4 tetrahedra. All Se–Se bond lengths are 2.92 Å. In the second Se site, Se is bonded in a distorted body-centered cubic geometry to four equivalent Ir and four equivalent Se atoms.},

  doi          = {10.17188/1279056},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279056

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