Materials Data on SnPH5NO4F by Materials Project

doi:10.17188/1285282

Title: Materials Data on SnPH5NO4F by Materials Project

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Abstract

NH4SnPHO4F crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four ammonium molecules and two SnPHO4F sheets oriented in the (0, 0, 1) direction. In each SnPHO4F sheet, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.16 Å. The Sn–F bond length is 2.11 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.59 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. F1- is bonded in a single-bond geometry to one Sn2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-698068

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; SnPH5NO4F; F-H-N-O-P-Sn

OSTI Identifier:: 1285282

DOI:: https://doi.org/10.17188/1285282

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                    The Materials Project. Materials Data on SnPH5NO4F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285282.

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                    The Materials Project. Materials Data on SnPH5NO4F by Materials Project.  United States.  doi:https://doi.org/10.17188/1285282

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                    The Materials Project. 2020.  
"Materials Data on SnPH5NO4F by Materials Project".  United States.  doi:https://doi.org/10.17188/1285282.  https://www.osti.gov/servlets/purl/1285282. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1285282,

  title        = {Materials Data on SnPH5NO4F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NH4SnPHO4F crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four ammonium molecules and two SnPHO4F sheets oriented in the (0, 0, 1) direction. In each SnPHO4F sheet, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.16 Å. The Sn–F bond length is 2.11 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.59 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. F1- is bonded in a single-bond geometry to one Sn2+ atom.},

  doi          = {10.17188/1285282},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1285282

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