Materials Data on KPO3 by Materials Project

doi:10.17188/1282901

Title: Materials Data on KPO3 by Materials Project

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Abstract

KPO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.06 Å. P5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.63 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one P5+, and one O2- atom. The O–O bond length is 1.47 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent K1+ and one O2- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-675976

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; KPO3; K-O-P

OSTI Identifier:: 1282901

DOI:: https://doi.org/10.17188/1282901

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                    The Materials Project. Materials Data on KPO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282901.

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                    The Materials Project. Materials Data on KPO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282901

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                    The Materials Project. 2020.  
"Materials Data on KPO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282901.  https://www.osti.gov/servlets/purl/1282901. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1282901,

  title        = {Materials Data on KPO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KPO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.06 Å. P5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.63 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one P5+, and one O2- atom. The O–O bond length is 1.47 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent K1+ and one O2- atom.},

  doi          = {10.17188/1282901},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1282901

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