Materials Data on KP by Materials Project

doi:10.17188/1288187

Title: Materials Data on KP by Materials Project

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Abstract

PK1 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six P1- atoms. There are a spread of K–P bond distances ranging from 3.24–3.67 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five P1- atoms. There are a spread of K–P bond distances ranging from 3.20–3.34 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 7-coordinate geometry to five K1+ and two equivalent P1- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent P1- atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-7441

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; KP; K-P

OSTI Identifier:: 1288187

DOI:: https://doi.org/10.17188/1288187

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                    The Materials Project. Materials Data on KP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288187.

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                    The Materials Project. Materials Data on KP by Materials Project.  United States.  doi:https://doi.org/10.17188/1288187

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                    The Materials Project. 2020.  
"Materials Data on KP by Materials Project".  United States.  doi:https://doi.org/10.17188/1288187.  https://www.osti.gov/servlets/purl/1288187. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1288187,

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

  author       = {The Materials Project},

  abstractNote = {PK1 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six P1- atoms. There are a spread of K–P bond distances ranging from 3.24–3.67 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five P1- atoms. There are a spread of K–P bond distances ranging from 3.20–3.34 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 7-coordinate geometry to five K1+ and two equivalent P1- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent P1- atoms.},

  doi          = {10.17188/1288187},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1288187

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