Materials Data on Sn3(OF)2 by Materials Project

doi:10.17188/1289061

Title: Materials Data on Sn3(OF)2 by Materials Project

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Abstract

Sn3(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Sn3(OF)2 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.31 Å) and two longer (2.34 Å) Sn–O bond lengths. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.19 Å. The Sn–F bond length is 2.11 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.20 Å. The Sn–F bond length is 2.08 Å. O2- is bonded to four Sn2+ atoms to form a mixture of edge and corner-sharing OSn4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom.

Publication Date:: 2020-04-30

Other Number(s):: mp-753564

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; F-O-Sn; Sn3(OF)2; crystal structure

OSTI Identifier:: 1289061

DOI:: https://doi.org/10.17188/1289061

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                    Materials Data on Sn3(OF)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289061.

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                    Materials Data on Sn3(OF)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289061

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                    2020.  
"Materials Data on Sn3(OF)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289061.  https://www.osti.gov/servlets/purl/1289061. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1289061,

  title        = {Materials Data on Sn3(OF)2 by Materials Project},

  
  abstractNote = {Sn3(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Sn3(OF)2 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.31 Å) and two longer (2.34 Å) Sn–O bond lengths. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.19 Å. The Sn–F bond length is 2.11 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.20 Å. The Sn–F bond length is 2.08 Å. O2- is bonded to four Sn2+ atoms to form a mixture of edge and corner-sharing OSn4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom.},

  doi          = {10.17188/1289061},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1289061

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