Materials Data on KPO4 by Materials Project

doi:10.17188/1751764

Title: Materials Data on KPO4 by Materials Project

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Abstract

KPO4 crystallizes in the tetragonal I-42d space group. The structure is one-dimensional and consists of four KPO4 ribbons oriented in the (0, 0, 1) direction. K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 2.67 Å. P is bonded in a distorted tetrahedral geometry to four equivalent O atoms. All P–O bond lengths are 1.56 Å. O is bonded in a distorted water-like geometry to one K and one P atom.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1102824

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; KPO4; K-O-P

OSTI Identifier:: 1751764

DOI:: https://doi.org/10.17188/1751764

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                    The Materials Project. Materials Data on KPO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751764.

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                    The Materials Project. Materials Data on KPO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751764

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                    The Materials Project. 2020.  
"Materials Data on KPO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751764.  https://www.osti.gov/servlets/purl/1751764. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1751764,

  title        = {Materials Data on KPO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KPO4 crystallizes in the tetragonal I-42d space group. The structure is one-dimensional and consists of four KPO4 ribbons oriented in the (0, 0, 1) direction. K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 2.67 Å. P is bonded in a distorted tetrahedral geometry to four equivalent O atoms. All P–O bond lengths are 1.56 Å. O is bonded in a distorted water-like geometry to one K and one P atom.},

  doi          = {10.17188/1751764},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751764

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Materials Data on KPO4 by Materials Project

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KPO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.82–3.21 Å. P is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.54 Å) and one longer (1.55 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one K and one P atom. In the second O site, O is bonded in a single-bond geometry to twomore »« less
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KPO4 is Zircon structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight equivalent O atoms. There are four shorter (2.78 Å) and four longer (2.98 Å) K–O bond lengths. P is bonded in a tetrahedral geometry to four equivalent O atoms. All P–O bond lengths are 1.54 Å. O is bonded in a distorted single-bond geometry to two equivalent K and one P atom.
Materials Data on KPO4 by Materials Project

Dataset The Materials Project

KPO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.77–3.25 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.85–3.00 Å. In the third K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging frommore »« less
Materials Data on KPO4 by Materials Project

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