Materials Data on Er7(TeIr)2 by Materials Project

doi:10.17188/1677056

Title: Materials Data on Er7(TeIr)2 by Materials Project

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Abstract

Er7(IrTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to two equivalent Ir and three Te atoms. Both Er–Ir bond lengths are 2.83 Å. There are one shorter (3.11 Å) and two longer (3.19 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 4-coordinate geometry to three equivalent Ir and one Te atom. There are two shorter (2.84 Å) and one longer (3.09 Å) Er–Ir bond lengths. The Er–Te bond length is 3.17 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Te atoms. Both Er–Ir bond lengths are 2.85 Å. Both Er–Te bond lengths are 3.17 Å. In the fourth Er site, Er is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.17 Å) and one longer (3.19 Å) Er–Te bond lengths. Ir is bonded in a 7-coordinate geometry to seven Er atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Er atoms. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1206617

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; Er7(TeIr)2; Er-Ir-Te

OSTI Identifier:: 1677056

DOI:: https://doi.org/10.17188/1677056

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                    The Materials Project. Materials Data on Er7(TeIr)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677056.

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                    The Materials Project. Materials Data on Er7(TeIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677056

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                    The Materials Project. 2020.  
"Materials Data on Er7(TeIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677056.  https://www.osti.gov/servlets/purl/1677056. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1677056,

  title        = {Materials Data on Er7(TeIr)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er7(IrTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to two equivalent Ir and three Te atoms. Both Er–Ir bond lengths are 2.83 Å. There are one shorter (3.11 Å) and two longer (3.19 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 4-coordinate geometry to three equivalent Ir and one Te atom. There are two shorter (2.84 Å) and one longer (3.09 Å) Er–Ir bond lengths. The Er–Te bond length is 3.17 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Te atoms. Both Er–Ir bond lengths are 2.85 Å. Both Er–Te bond lengths are 3.17 Å. In the fourth Er site, Er is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.17 Å) and one longer (3.19 Å) Er–Te bond lengths. Ir is bonded in a 7-coordinate geometry to seven Er atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Er atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Er atoms.},

  doi          = {10.17188/1677056},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677056

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