Materials Data on NiP2N2(O6F)2 by Materials Project

doi:10.17188/1752993

Title: Materials Data on NiP2N2(O6F)2 by Materials Project

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Abstract

Ni(NO4)2(PO2F)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 14939-29-8 molecules and two Ni(NO4)2 clusters. In each Ni(NO4)2 cluster, Ni is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.85–2.59 Å. N is bonded in a bent 120 degrees geometry to two O atoms. Both N–O bond lengths are 1.22 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Ni and one N atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1180704

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; NiP2N2(O6F)2; F-N-Ni-O-P

OSTI Identifier:: 1752993

DOI:: https://doi.org/10.17188/1752993

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                    The Materials Project. Materials Data on NiP2N2(O6F)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752993.

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                    The Materials Project. Materials Data on NiP2N2(O6F)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752993

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                    The Materials Project. 2020.  
"Materials Data on NiP2N2(O6F)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752993.  https://www.osti.gov/servlets/purl/1752993. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1752993,

  title        = {Materials Data on NiP2N2(O6F)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni(NO4)2(PO2F)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 14939-29-8 molecules and two Ni(NO4)2 clusters. In each Ni(NO4)2 cluster, Ni is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.85–2.59 Å. N is bonded in a bent 120 degrees geometry to two O atoms. Both N–O bond lengths are 1.22 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Ni and one N atom.},

  doi          = {10.17188/1752993},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752993

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