Materials Data on Ir3Se8 by Materials Project

doi:10.17188/1316771

Title: Materials Data on Ir3Se8 by Materials Project

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Abstract

Ir3Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ir+3.33+ is bonded to six Se+1.25- atoms to form corner-sharing IrSe6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Ir–Se bond distances ranging from 2.51–2.53 Å. There are two inequivalent Se+1.25- sites. In the first Se+1.25- site, Se+1.25- is bonded in a 2-coordinate geometry to two equivalent Ir+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.49 Å. In the second Se+1.25- site, Se+1.25- is bonded in a 3-coordinate geometry to three equivalent Ir+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.61 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-9888

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; Ir3Se8; Ir-Se

OSTI Identifier:: 1316771

DOI:: https://doi.org/10.17188/1316771

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                    The Materials Project. Materials Data on Ir3Se8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316771.

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                    The Materials Project. Materials Data on Ir3Se8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316771

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                    The Materials Project. 2020.  
"Materials Data on Ir3Se8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316771.  https://www.osti.gov/servlets/purl/1316771. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1316771,

  title        = {Materials Data on Ir3Se8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ir3Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ir+3.33+ is bonded to six Se+1.25- atoms to form corner-sharing IrSe6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Ir–Se bond distances ranging from 2.51–2.53 Å. There are two inequivalent Se+1.25- sites. In the first Se+1.25- site, Se+1.25- is bonded in a 2-coordinate geometry to two equivalent Ir+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.49 Å. In the second Se+1.25- site, Se+1.25- is bonded in a 3-coordinate geometry to three equivalent Ir+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.61 Å.},

  doi          = {10.17188/1316771},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316771

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