Materials Data on Mn3NiO10 by Materials Project

doi:10.17188/1707034

Title: Materials Data on Mn3NiO10 by Materials Project

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Abstract

Mn3NiO10 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Mn3NiO10 sheets oriented in the (0, 0, 1) direction. Mn+5.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent NiO6 octahedra and edges with five equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There is three shorter (1.82 Å) and three longer (1.94 Å) Ni–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn+5.33+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Ni4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn+5.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn+5.33+ and one Ni4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1192587

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; Mn3NiO10; Mn-Ni-O

OSTI Identifier:: 1707034

DOI:: https://doi.org/10.17188/1707034

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                    The Materials Project. Materials Data on Mn3NiO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707034.

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                    The Materials Project. Materials Data on Mn3NiO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707034

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                    The Materials Project. 2020.  
"Materials Data on Mn3NiO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707034.  https://www.osti.gov/servlets/purl/1707034. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1707034,

  title        = {Materials Data on Mn3NiO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3NiO10 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Mn3NiO10 sheets oriented in the (0, 0, 1) direction. Mn+5.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent NiO6 octahedra and edges with five equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There is three shorter (1.82 Å) and three longer (1.94 Å) Ni–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn+5.33+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Ni4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn+5.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn+5.33+ and one Ni4+ atom.},

  doi          = {10.17188/1707034},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707034

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