Materials Data on K2PO4 by Materials Project

doi:10.17188/1269017

Title: Materials Data on K2PO4 by Materials Project

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Abstract

K2PO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.77–3.20 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.70–2.98 Å. P is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.53 Å) and one longer (1.70 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to five K and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to five K and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four K and one P atom.

Authors:: The Materials Project

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

Other Number(s):: mp-555840

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; K2PO4; K-O-P

OSTI Identifier:: 1269017

DOI:: https://doi.org/10.17188/1269017

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                    The Materials Project. Materials Data on K2PO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269017.

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                    The Materials Project. Materials Data on K2PO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269017

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                    The Materials Project. 2020.  
"Materials Data on K2PO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269017.  https://www.osti.gov/servlets/purl/1269017. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1269017,

  title        = {Materials Data on K2PO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2PO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.77–3.20 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.70–2.98 Å. P is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.53 Å) and one longer (1.70 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to five K and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to five K and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four K and one P atom.},

  doi          = {10.17188/1269017},

  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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DOI: https://doi.org/10.17188/1269017

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