Materials Data on Sn6P3NO14 by Materials Project

doi:10.17188/1749554

Title: Materials Data on Sn6P3NO14 by Materials Project

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Abstract

Sn6P3NO14 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Sn+2.67+ sites. In the first Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.12–2.19 Å. In the second Sn+2.67+ site, Sn+2.67+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.14 Å. In the third Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.14 Å) and two longer (2.16 Å) Sn–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. N3- is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of N–O bond distances ranging from 3.04–3.30 Å. There are seven inequivalent O2- sites. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1203414

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; Sn6P3NO14; N-O-P-Sn

OSTI Identifier:: 1749554

DOI:: https://doi.org/10.17188/1749554

Citation Formats


                    The Materials Project. Materials Data on Sn6P3NO14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749554.

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                    The Materials Project. Materials Data on Sn6P3NO14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749554

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                    The Materials Project. 2020.  
"Materials Data on Sn6P3NO14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749554.  https://www.osti.gov/servlets/purl/1749554. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1749554,

  title        = {Materials Data on Sn6P3NO14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sn6P3NO14 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Sn+2.67+ sites. In the first Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.12–2.19 Å. In the second Sn+2.67+ site, Sn+2.67+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.14 Å. In the third Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.14 Å) and two longer (2.16 Å) Sn–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. N3- is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of N–O bond distances ranging from 3.04–3.30 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+2.67+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn+2.67+, one P5+, and one N3- atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three Sn+2.67+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom.},

  doi          = {10.17188/1749554},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1749554

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