Materials Data on KPO3 by Materials Project

doi:10.17188/1189856

Title: Materials Data on KPO3 by Materials Project

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Abstract

KPO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.79–2.95 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-13981

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:: 1189856

DOI:: https://doi.org/10.17188/1189856

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                    The Materials Project. Materials Data on KPO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189856.

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                    The Materials Project. Materials Data on KPO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189856

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                    The Materials Project. 2020.  
"Materials Data on KPO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189856.  https://www.osti.gov/servlets/purl/1189856. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1189856,

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

  author       = {The Materials Project},

  abstractNote = {KPO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.79–2.95 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom.},

  doi          = {10.17188/1189856},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1189856

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