Materials Data on Te2Ir by Materials Project

doi:10.17188/1199015

Title: Materials Data on Te2Ir by Materials Project

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Abstract

IrTe2 is Calaverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one IrTe2 sheet oriented in the (0, 0, 1) direction. Ir4+ is bonded to six equivalent Te2- atoms to form edge-sharing IrTe6 octahedra. All Ir–Te bond lengths are 2.68 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Ir4+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-2285

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; Ir-Te; Te2Ir; crystal structure

OSTI Identifier:: 1199015

DOI:: https://doi.org/10.17188/1199015

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                    Materials Data on Te2Ir by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199015.

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                    Materials Data on Te2Ir by Materials Project.  United States.  doi:https://doi.org/10.17188/1199015

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                    2020.  
"Materials Data on Te2Ir by Materials Project".  United States.  doi:https://doi.org/10.17188/1199015.  https://www.osti.gov/servlets/purl/1199015. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199015,

  title        = {Materials Data on Te2Ir by Materials Project},

  
  abstractNote = {IrTe2 is Calaverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one IrTe2 sheet oriented in the (0, 0, 1) direction. Ir4+ is bonded to six equivalent Te2- atoms to form edge-sharing IrTe6 octahedra. All Ir–Te bond lengths are 2.68 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Ir4+ atoms.},

  doi          = {10.17188/1199015},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199015

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Materials Data on Te2Ir by Materials Project

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IrTe2 is Marcasite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing IrTe6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There are four shorter (2.68 Å) and two longer (2.70 Å) Ir–Te bond lengths. In the second Ir4+ site, Ir4+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing IrTe6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There are a spreadmore »« less
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