Materials Data on CoMoP by Materials Project

doi:10.17188/1197489

Title: Materials Data on CoMoP by Materials Project

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Abstract

CoMoP is Matlockite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo2+ is bonded to five equivalent P3- atoms to form distorted MoP5 trigonal bipyramids that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MoP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent MoP5 trigonal bipyramids. There are a spread of Mo–P bond distances ranging from 2.38–2.63 Å. Co1+ is bonded to four equivalent P3- atoms to form CoP4 tetrahedra that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent MoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.20–2.32 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Mo2+ and four equivalent Co1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-22262

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; CoMoP; Co-Mo-P

OSTI Identifier:: 1197489

DOI:: https://doi.org/10.17188/1197489

Citation Formats


                    The Materials Project. Materials Data on CoMoP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197489.

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                    The Materials Project. Materials Data on CoMoP by Materials Project.  United States.  doi:https://doi.org/10.17188/1197489

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                    The Materials Project. 2020.  
"Materials Data on CoMoP by Materials Project".  United States.  doi:https://doi.org/10.17188/1197489.  https://www.osti.gov/servlets/purl/1197489. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197489,

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

  author       = {The Materials Project},

  abstractNote = {CoMoP is Matlockite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo2+ is bonded to five equivalent P3- atoms to form distorted MoP5 trigonal bipyramids that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MoP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent MoP5 trigonal bipyramids. There are a spread of Mo–P bond distances ranging from 2.38–2.63 Å. Co1+ is bonded to four equivalent P3- atoms to form CoP4 tetrahedra that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent MoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.20–2.32 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Mo2+ and four equivalent Co1+ atoms.},

  doi          = {10.17188/1197489},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1197489

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