Materials Data on KSb4F13 by Materials Project

doi:10.17188/1271235

Title: Materials Data on KSb4F13 by Materials Project

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Abstract

KSb4F13 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two KSb4F13 ribbons oriented in the (0, 0, 1) direction. K1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are eight shorter (2.81 Å) and two longer (2.98 Å) K–F bond lengths. Sb3+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.75 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Sb3+, and one F1- atom. The F–F bond length is 2.75 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded to two equivalent K1+, four equivalent Sb3+, and eight equivalent F1- atoms to form distorted corner-sharing FK2Sb4F8 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-560043

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; KSb4F13; F-K-Sb

OSTI Identifier:: 1271235

DOI:: https://doi.org/10.17188/1271235

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                    The Materials Project. Materials Data on KSb4F13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271235.

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                    The Materials Project. Materials Data on KSb4F13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271235

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                    The Materials Project. 2020.  
"Materials Data on KSb4F13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271235.  https://www.osti.gov/servlets/purl/1271235. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1271235,

  title        = {Materials Data on KSb4F13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KSb4F13 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two KSb4F13 ribbons oriented in the (0, 0, 1) direction. K1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are eight shorter (2.81 Å) and two longer (2.98 Å) K–F bond lengths. Sb3+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.75 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Sb3+, and one F1- atom. The F–F bond length is 2.75 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded to two equivalent K1+, four equivalent Sb3+, and eight equivalent F1- atoms to form distorted corner-sharing FK2Sb4F8 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1271235},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271235

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