Materials Data on IrS2 by Materials Project

doi:10.17188/1655723

Title: Materials Data on IrS2 by Materials Project

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Abstract

IrS2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent S2- atoms to form corner-sharing IrS6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ir–S bond lengths are 2.37 Å. S2- is bonded in a distorted trigonal planar geometry to three equivalent Ir4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1102261

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; IrS2; Ir-S

OSTI Identifier:: 1655723

DOI:: https://doi.org/10.17188/1655723

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                    The Materials Project. Materials Data on IrS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655723.

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                    The Materials Project. Materials Data on IrS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655723

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                    The Materials Project. 2020.  
"Materials Data on IrS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655723.  https://www.osti.gov/servlets/purl/1655723. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1655723,

  title        = {Materials Data on IrS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {IrS2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent S2- atoms to form corner-sharing IrS6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ir–S bond lengths are 2.37 Å. S2- is bonded in a distorted trigonal planar geometry to three equivalent Ir4+ atoms.},

  doi          = {10.17188/1655723},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1655723

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