Materials Data on MoO2 by Materials Project

doi:10.17188/1287058

Title: Materials Data on MoO2 by Materials Project

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Abstract

MoO2 is Rutile structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mo4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Mo–O bond distances ranging from 2.02–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mo4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mo4+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-715550

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; Mo-O; MoO2

OSTI Identifier:: 1287058

DOI:: https://doi.org/10.17188/1287058

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                    Materials Data on MoO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287058.

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                    Materials Data on MoO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287058

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                    2020.  
"Materials Data on MoO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287058.  https://www.osti.gov/servlets/purl/1287058. Pub date:Wed Jul 15 20:00:00 EDT 2020

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@article{osti_1287058,

  title        = {Materials Data on MoO2 by Materials Project},

  
  abstractNote = {MoO2 is Rutile structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mo4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Mo–O bond distances ranging from 2.02–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mo4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mo4+ atoms.},

  doi          = {10.17188/1287058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1287058

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Materials Data on MoO2 by Materials Project

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MoO2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three MoO2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent O2- atoms to form edge-sharing MoO6 octahedra. All Mo–O bond lengths are 2.10 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms.
Materials Data on MoO2 by Materials Project

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MoO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with three MoO4 tetrahedra and edges with four MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 1.97–2.27 Å. In the second Mo4+ site, Mo4+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with three equivalent MoO4 tetrahedra and edges with four MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 1.93–2.25more »« less
Materials Data on MoO2 by Materials Project

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MoO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.05–2.17 Å. In the second Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.05–2.17 Å. In the third Mo4+ site, Mo4+ is bonded to six O2- atoms to form distorted edge-sharing MoO6 octahedra. There are four shorter (2.18 Å)more »« less
Materials Data on MoO2 by Materials Project

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MoO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MoO2 sheet oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent O2- atoms to form edge-sharing MoO6 octahedra. There are four shorter (2.07 Å) and two longer (2.15 Å) Mo–O bond lengths. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms.
Materials Data on MoO2 by Materials Project

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MoO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent O2- atoms to form edge-sharing MoO6 octahedra. There are four shorter (2.07 Å) and two longer (2.13 Å) Mo–O bond lengths. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms.

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