Materials Data on CoNiTe4 by Materials Project

doi:10.17188/1726843

Title: Materials Data on CoNiTe4 by Materials Project

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Abstract

CoNiTe4 is Calaverite-derived structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one CoNiTe4 sheet oriented in the (0, 1, 1) direction. Co4+ is bonded to six Te2- atoms to form CoTe6 octahedra that share edges with two equivalent CoTe6 octahedra and edges with four equivalent NiTe6 octahedra. There are a spread of Co–Te bond distances ranging from 2.54–2.56 Å. Ni4+ is bonded to six Te2- atoms to form NiTe6 octahedra that share edges with two equivalent NiTe6 octahedra and edges with four equivalent CoTe6 octahedra. There are four shorter (2.59 Å) and two longer (2.60 Å) Ni–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to one Co4+ and two equivalent Ni4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Co4+ and one Ni4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1226054

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; CoNiTe4; Co-Ni-Te

OSTI Identifier:: 1726843

DOI:: https://doi.org/10.17188/1726843

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                    The Materials Project. Materials Data on CoNiTe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1726843.

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                    The Materials Project. Materials Data on CoNiTe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1726843

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                    The Materials Project. 2020.  
"Materials Data on CoNiTe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1726843.  https://www.osti.gov/servlets/purl/1726843. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1726843,

  title        = {Materials Data on CoNiTe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoNiTe4 is Calaverite-derived structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one CoNiTe4 sheet oriented in the (0, 1, 1) direction. Co4+ is bonded to six Te2- atoms to form CoTe6 octahedra that share edges with two equivalent CoTe6 octahedra and edges with four equivalent NiTe6 octahedra. There are a spread of Co–Te bond distances ranging from 2.54–2.56 Å. Ni4+ is bonded to six Te2- atoms to form NiTe6 octahedra that share edges with two equivalent NiTe6 octahedra and edges with four equivalent CoTe6 octahedra. There are four shorter (2.59 Å) and two longer (2.60 Å) Ni–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to one Co4+ and two equivalent Ni4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Co4+ and one Ni4+ atom.},

  doi          = {10.17188/1726843},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1726843

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