Materials Data on KCo(PO3)3 by Materials Project

doi:10.17188/1667237

Title: Materials Data on KCo(PO3)3 by Materials Project

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Abstract

KCoP3O9 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.82 Å. Co2+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Co–O bond lengths are 2.13 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CoO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-1192408

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; KCo(PO3)3; Co-K-O-P

OSTI Identifier:: 1667237

DOI:: https://doi.org/10.17188/1667237

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                    The Materials Project. Materials Data on KCo(PO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1667237.

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                    The Materials Project. Materials Data on KCo(PO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1667237

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                    The Materials Project. 2020.  
"Materials Data on KCo(PO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1667237.  https://www.osti.gov/servlets/purl/1667237. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1667237,

  title        = {Materials Data on KCo(PO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KCoP3O9 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.82 Å. Co2+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Co–O bond lengths are 2.13 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CoO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom.},

  doi          = {10.17188/1667237},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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