Materials Data on CrMoO4 by Materials Project

doi:10.17188/1681694

Title: Materials Data on CrMoO4 by Materials Project

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Abstract

CrMoO4 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with eight equivalent CrO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.94 Å) and four longer (2.03 Å) Mo–O bond length. Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (2.01 Å) and four longer (2.03 Å) Cr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two equivalent Cr2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cr2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cr2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1213733

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; CrMoO4; Cr-Mo-O

OSTI Identifier:: 1681694

DOI:: https://doi.org/10.17188/1681694

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                    The Materials Project. Materials Data on CrMoO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681694.

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                    The Materials Project. Materials Data on CrMoO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681694

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                    The Materials Project. 2020.  
"Materials Data on CrMoO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681694.  https://www.osti.gov/servlets/purl/1681694. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1681694,

  title        = {Materials Data on CrMoO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrMoO4 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with eight equivalent CrO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.94 Å) and four longer (2.03 Å) Mo–O bond length. Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (2.01 Å) and four longer (2.03 Å) Cr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two equivalent Cr2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cr2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cr2+ atom.},

  doi          = {10.17188/1681694},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681694

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