Materials Data on K2PtI5 by Materials Project

doi:10.17188/1706954

Title: Materials Data on K2PtI5 by Materials Project

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Abstract

K2PtI5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of K–I bond distances ranging from 3.63–3.82 Å. Pt is bonded to six I atoms to form corner-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Pt–I bond distances ranging from 2.69–2.90 Å. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to two equivalent K and one Pt atom. In the second I site, I is bonded to four equivalent K and one Pt atom to form a mixture of distorted edge and corner-sharing IK4Pt trigonal bipyramids. In the third I site, I is bonded in a rectangular see-saw-like geometry to two equivalent K and two equivalent Pt atoms.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1224094

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; K2PtI5; I-K-Pt

OSTI Identifier:: 1706954

DOI:: https://doi.org/10.17188/1706954

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                    The Materials Project. Materials Data on K2PtI5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1706954.

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                    The Materials Project. Materials Data on K2PtI5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706954

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                    The Materials Project. 2020.  
"Materials Data on K2PtI5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706954.  https://www.osti.gov/servlets/purl/1706954. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1706954,

  title        = {Materials Data on K2PtI5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2PtI5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of K–I bond distances ranging from 3.63–3.82 Å. Pt is bonded to six I atoms to form corner-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Pt–I bond distances ranging from 2.69–2.90 Å. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to two equivalent K and one Pt atom. In the second I site, I is bonded to four equivalent K and one Pt atom to form a mixture of distorted edge and corner-sharing IK4Pt trigonal bipyramids. In the third I site, I is bonded in a rectangular see-saw-like geometry to two equivalent K and two equivalent Pt atoms.},

  doi          = {10.17188/1706954},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1706954

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