Materials Data on K2Sn3O7 by Materials Project

doi:10.17188/1355021

Title: Materials Data on K2Sn3O7 by Materials Project

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Abstract

K2Sn3O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–2.93 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.85 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–51°. There are a spread of Sn–O bond distances ranging from 2.00–2.20 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sn–O bond distances ranging from 2.07–2.16 Å. In the third Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Sn–O bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-1024073

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; K2Sn3O7; K-O-Sn

OSTI Identifier:: 1355021

DOI:: https://doi.org/10.17188/1355021

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                    The Materials Project. Materials Data on K2Sn3O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355021.

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                    The Materials Project. Materials Data on K2Sn3O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355021

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                    The Materials Project. 2020.  
"Materials Data on K2Sn3O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355021.  https://www.osti.gov/servlets/purl/1355021. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1355021,

  title        = {Materials Data on K2Sn3O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Sn3O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–2.93 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.85 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–51°. There are a spread of Sn–O bond distances ranging from 2.00–2.20 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sn–O bond distances ranging from 2.07–2.16 Å. In the third Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Sn–O bond distances ranging from 2.05–2.25 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and three Sn4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sn4+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Sn4+ atoms. In the fifth O2- site, O2- is bonded to three equivalent K1+ and two equivalent Sn4+ atoms to form distorted edge-sharing OK3Sn2 square pyramids. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two equivalent Sn4+ atoms.},

  doi          = {10.17188/1355021},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1355021

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