Materials Data on Mn2CrO6 by Materials Project

doi:10.17188/1302711

Title: Materials Data on Mn2CrO6 by Materials Project

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Abstract

CrMn2O6 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one CrMn2O6 sheet oriented in the (2, 0, -1) direction. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share edges with two equivalent CrO6 octahedra and edges with four equivalent MnO6 octahedra. There is four shorter (1.94 Å) and two longer (1.97 Å) Cr–O bond length. Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent CrO6 octahedra and edges with four equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cr3+ and two equivalent Mn+4.50+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr3+ and one Mn+4.50+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-775006

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; Mn2CrO6; Cr-Mn-O

OSTI Identifier:: 1302711

DOI:: https://doi.org/10.17188/1302711

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                    The Materials Project. Materials Data on Mn2CrO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1302711.

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                    The Materials Project. Materials Data on Mn2CrO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1302711

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                    The Materials Project. 2020.  
"Materials Data on Mn2CrO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1302711.  https://www.osti.gov/servlets/purl/1302711. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1302711,

  title        = {Materials Data on Mn2CrO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrMn2O6 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one CrMn2O6 sheet oriented in the (2, 0, -1) direction. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share edges with two equivalent CrO6 octahedra and edges with four equivalent MnO6 octahedra. There is four shorter (1.94 Å) and two longer (1.97 Å) Cr–O bond length. Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent CrO6 octahedra and edges with four equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cr3+ and two equivalent Mn+4.50+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr3+ and one Mn+4.50+ atom.},

  doi          = {10.17188/1302711},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1302711

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