Materials Data on Mn3Cd2O8 by Materials Project

doi:10.17188/1193577

Title: Materials Data on Mn3Cd2O8 by Materials Project

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Abstract

Cd2Mn3O8 is Marcasite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There is four shorter (1.94 Å) and two longer (1.96 Å) Mn–O bond length. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.01 Å. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.24–2.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn4+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Cd2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Mn4+ and two equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-18870

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; Mn3Cd2O8; Cd-Mn-O

OSTI Identifier:: 1193577

DOI:: https://doi.org/10.17188/1193577

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                    The Materials Project. Materials Data on Mn3Cd2O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193577.

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                    The Materials Project. Materials Data on Mn3Cd2O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193577

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                    The Materials Project. 2020.  
"Materials Data on Mn3Cd2O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193577.  https://www.osti.gov/servlets/purl/1193577. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1193577,

  title        = {Materials Data on Mn3Cd2O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd2Mn3O8 is Marcasite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There is four shorter (1.94 Å) and two longer (1.96 Å) Mn–O bond length. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.01 Å. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.24–2.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn4+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Cd2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Mn4+ and two equivalent Cd2+ atoms.},

  doi          = {10.17188/1193577},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193577

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