Materials Data on K2AgF4 by Materials Project

doi:10.17188/1722303

Title: Materials Data on K2AgF4 by Materials Project

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Abstract

K2AgF4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce 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 2.60–3.11 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are two shorter (2.17 Å) and four longer (2.26 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ag2+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1211955

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; K2AgF4; Ag-F-K

OSTI Identifier:: 1722303

DOI:: https://doi.org/10.17188/1722303

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                    The Materials Project. Materials Data on K2AgF4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1722303.

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                    The Materials Project. Materials Data on K2AgF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722303

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                    The Materials Project. 2019.  
"Materials Data on K2AgF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722303.  https://www.osti.gov/servlets/purl/1722303. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1722303,

  title        = {Materials Data on K2AgF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2AgF4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce 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 2.60–3.11 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are two shorter (2.17 Å) and four longer (2.26 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ag2+ atom.},

  doi          = {10.17188/1722303},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1722303

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