Materials Data on Mn4NO8 by Materials Project

doi:10.17188/1738246

Title: Materials Data on Mn4NO8 by Materials Project

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Abstract

Mn4NO8 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mn+4.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. N3- is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All N–O bond lengths are 2.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+4.75+ and two equivalent N3- atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn+4.75+ atoms.

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1210626

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; Mn4NO8; Mn-N-O

OSTI Identifier:: 1738246

DOI:: https://doi.org/10.17188/1738246

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                    The Materials Project. Materials Data on Mn4NO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738246.

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                    The Materials Project. Materials Data on Mn4NO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738246

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                    The Materials Project. 2020.  
"Materials Data on Mn4NO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738246.  https://www.osti.gov/servlets/purl/1738246. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1738246,

  title        = {Materials Data on Mn4NO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn4NO8 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mn+4.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. N3- is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All N–O bond lengths are 2.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+4.75+ and two equivalent N3- atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn+4.75+ atoms.},

  doi          = {10.17188/1738246},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738246

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