Materials Data on SnPbF4 by Materials Project

doi:10.17188/1196019

Title: Materials Data on SnPbF4 by Materials Project

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Abstract

PbSnF4 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one PbSnF4 sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.55 Å) and four longer (2.96 Å) Pb–F bond lengths. Sn2+ is bonded in a distorted pentagonal planar geometry to five F1- atoms. There are one shorter (2.12 Å) and four longer (2.28 Å) Sn–F bond lengths. There are three 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 to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Pb2+ and two equivalent Sn2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-20815

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; SnPbF4; F-Pb-Sn

OSTI Identifier:: 1196019

DOI:: https://doi.org/10.17188/1196019

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                    The Materials Project. Materials Data on SnPbF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196019.

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                    The Materials Project. Materials Data on SnPbF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196019

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                    The Materials Project. 2020.  
"Materials Data on SnPbF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196019.  https://www.osti.gov/servlets/purl/1196019. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1196019,

  title        = {Materials Data on SnPbF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PbSnF4 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one PbSnF4 sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.55 Å) and four longer (2.96 Å) Pb–F bond lengths. Sn2+ is bonded in a distorted pentagonal planar geometry to five F1- atoms. There are one shorter (2.12 Å) and four longer (2.28 Å) Sn–F bond lengths. There are three 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 to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Pb2+ and two equivalent Sn2+ atoms.},

  doi          = {10.17188/1196019},

  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/10.17188/1196019

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