Materials Data on K2SbF5 by Materials Project

doi:10.17188/1206660

Title: Materials Data on K2SbF5 by Materials Project

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Abstract

K2SbF5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two K2SbF5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of K–F bond distances ranging from 2.91–3.32 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are four shorter (2.61 Å) and one longer (2.72 Å) K–F bond lengths. Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are one shorter (1.99 Å) and four longer (2.12 Å) Sb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to five K1+ and one Sb3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-3379

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; K2SbF5; F-K-Sb

OSTI Identifier:: 1206660

DOI:: https://doi.org/10.17188/1206660

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                    The Materials Project. Materials Data on K2SbF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206660.

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                    The Materials Project. Materials Data on K2SbF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206660

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                    The Materials Project. 2020.  
"Materials Data on K2SbF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206660.  https://www.osti.gov/servlets/purl/1206660. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1206660,

  title        = {Materials Data on K2SbF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2SbF5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two K2SbF5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of K–F bond distances ranging from 2.91–3.32 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are four shorter (2.61 Å) and one longer (2.72 Å) K–F bond lengths. Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are one shorter (1.99 Å) and four longer (2.12 Å) Sb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to five K1+ and one Sb3+ atom.},

  doi          = {10.17188/1206660},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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