Materials Data on KAgF3 by Materials Project

doi:10.17188/1662430

Title: Materials Data on KAgF3 by Materials Project

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Abstract

KAgF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.75–2.98 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are a spread of Ag–F bond distances ranging from 2.11–2.45 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1205357

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; KAgF3; Ag-F-K

OSTI Identifier:: 1662430

DOI:: https://doi.org/10.17188/1662430

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                    The Materials Project. Materials Data on KAgF3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1662430.

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                    The Materials Project. Materials Data on KAgF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662430

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                    The Materials Project. 2019.  
"Materials Data on KAgF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662430.  https://www.osti.gov/servlets/purl/1662430. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1662430,

  title        = {Materials Data on KAgF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAgF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.75–2.98 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are a spread of Ag–F bond distances ranging from 2.11–2.45 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.},

  doi          = {10.17188/1662430},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1662430

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