Materials Data on K2PrI5 by Materials Project

doi:10.17188/1202408

Title: Materials Data on K2PrI5 by Materials Project

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Abstract

K2PrI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.65–4.00 Å. Pr3+ is bonded to seven I1- atoms to form distorted edge-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.20–3.30 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing IK4Pr trigonal bipyramids. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pr3+ atoms. In the third I1- site, I1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing IK4Pr trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted edge and corner-sharing IK4Pr trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-28277

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; K2PrI5; I-K-Pr

OSTI Identifier:: 1202408

DOI:: https://doi.org/10.17188/1202408

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                    The Materials Project. Materials Data on K2PrI5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202408.

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                    The Materials Project. Materials Data on K2PrI5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202408

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                    The Materials Project. 2020.  
"Materials Data on K2PrI5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202408.  https://www.osti.gov/servlets/purl/1202408. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1202408,

  title        = {Materials Data on K2PrI5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2PrI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.65–4.00 Å. Pr3+ is bonded to seven I1- atoms to form distorted edge-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.20–3.30 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing IK4Pr trigonal bipyramids. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pr3+ atoms. In the third I1- site, I1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing IK4Pr trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted edge and corner-sharing IK4Pr trigonal bipyramids.},

  doi          = {10.17188/1202408},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202408

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