Materials Data on NiTeO4 by Materials Project

doi:10.17188/1679405

Title: Materials Data on NiTeO4 by Materials Project

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Abstract

NiTeO4 is trigonal omega-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with four equivalent TeO6 octahedra. There are four shorter (2.09 Å) and two longer (2.15 Å) Ni–O bond lengths. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with two equivalent TeO6 octahedra and edges with four equivalent NiO6 octahedra. There is two shorter (1.90 Å) and four longer (2.04 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Ni4+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni4+ and one Te4+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1101434

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; NiTeO4; Ni-O-Te

OSTI Identifier:: 1679405

DOI:: https://doi.org/10.17188/1679405

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                    The Materials Project. Materials Data on NiTeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679405.

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                    The Materials Project. Materials Data on NiTeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1679405

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                    The Materials Project. 2020.  
"Materials Data on NiTeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1679405.  https://www.osti.gov/servlets/purl/1679405. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1679405,

  title        = {Materials Data on NiTeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiTeO4 is trigonal omega-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with four equivalent TeO6 octahedra. There are four shorter (2.09 Å) and two longer (2.15 Å) Ni–O bond lengths. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with two equivalent TeO6 octahedra and edges with four equivalent NiO6 octahedra. There is two shorter (1.90 Å) and four longer (2.04 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Ni4+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni4+ and one Te4+ atom.},

  doi          = {10.17188/1679405},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1679405

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