Materials Data on KSn2F5 by Materials Project

doi:10.17188/1655764

Title: Materials Data on KSn2F5 by Materials Project

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Abstract

KSn2F5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one KSn2F5 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.65–3.20 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to five F1- atoms to form distorted corner-sharing SnF5 square pyramids. There are a spread of Sn–F bond distances ranging from 2.06–2.25 Å. In the second Sn2+ site, Sn2+ is bonded in an L-shaped geometry to two F1- atoms. There are one shorter (2.03 Å) and one longer (2.11 Å) Sn–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Sn2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Sn2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Sn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted water-like geometry to one K1+ and one Sn2+more » atom.« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1223341

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; KSn2F5; F-K-Sn

OSTI Identifier:: 1655764

DOI:: https://doi.org/10.17188/1655764

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                    The Materials Project. Materials Data on KSn2F5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1655764.

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                    The Materials Project. Materials Data on KSn2F5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655764

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                    The Materials Project. 2019.  
"Materials Data on KSn2F5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655764.  https://www.osti.gov/servlets/purl/1655764. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1655764,

  title        = {Materials Data on KSn2F5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KSn2F5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one KSn2F5 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.65–3.20 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to five F1- atoms to form distorted corner-sharing SnF5 square pyramids. There are a spread of Sn–F bond distances ranging from 2.06–2.25 Å. In the second Sn2+ site, Sn2+ is bonded in an L-shaped geometry to two F1- atoms. There are one shorter (2.03 Å) and one longer (2.11 Å) Sn–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Sn2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Sn2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Sn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted water-like geometry to one K1+ and one Sn2+ atom.},

  doi          = {10.17188/1655764},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1655764

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