Materials Data on K2CoP2WO10 by Materials Project

doi:10.17188/1280527

Title: Materials Data on K2CoP2WO10 by Materials Project

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Abstract

K2WCoP2O10 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.63–2.70 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–O bond distances ranging from 1.81–2.09 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Co–O bond distances ranging from 2.07–2.19 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent WO6 octahedra and corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–51°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-645301

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; K2CoP2WO10; Co-K-O-P-W

OSTI Identifier:: 1280527

DOI:: https://doi.org/10.17188/1280527

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                    The Materials Project. Materials Data on K2CoP2WO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280527.

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                    The Materials Project. Materials Data on K2CoP2WO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280527

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                    The Materials Project. 2020.  
"Materials Data on K2CoP2WO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280527.  https://www.osti.gov/servlets/purl/1280527. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1280527,

  title        = {Materials Data on K2CoP2WO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2WCoP2O10 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.63–2.70 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–O bond distances ranging from 1.81–2.09 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Co–O bond distances ranging from 2.07–2.19 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent WO6 octahedra and corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–51°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one W6+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Co2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom.},

  doi          = {10.17188/1280527},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1280527

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