Materials Data on ZnP3NO9 by Materials Project

doi:10.17188/1689154

Title: Materials Data on ZnP3NO9 by Materials Project

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Abstract

(Zn(PO3)3)2N2 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional and consists of two ammonia molecules and one Zn(PO3)3 framework. In the Zn(PO3)3 framework, Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Zn–O bond lengths are 2.09 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent ZnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1207409

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; ZnP3NO9; N-O-P-Zn

OSTI Identifier:: 1689154

DOI:: https://doi.org/10.17188/1689154

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                    The Materials Project. Materials Data on ZnP3NO9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689154.

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                    The Materials Project. Materials Data on ZnP3NO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689154

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                    The Materials Project. 2020.  
"Materials Data on ZnP3NO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689154.  https://www.osti.gov/servlets/purl/1689154. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1689154,

  title        = {Materials Data on ZnP3NO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Zn(PO3)3)2N2 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional and consists of two ammonia molecules and one Zn(PO3)3 framework. In the Zn(PO3)3 framework, Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Zn–O bond lengths are 2.09 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent ZnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.},

  doi          = {10.17188/1689154},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1689154

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