Materials Data on P2HNF4 by Materials Project

doi:10.17188/1291322

Title: Materials Data on P2HNF4 by Materials Project

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Abstract

P2NHF4 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four imidodiphosphorous tetrafluoride molecules. there are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two F1- atoms. The P–N bond length is 1.69 Å. Both P–F bond lengths are 1.62 Å. In the second P4+ site, P4+ is bonded in a distorted T-shaped geometry to one N3- and two F1- atoms. The P–N bond length is 1.70 Å. Both P–F bond lengths are 1.62 Å. N3- is bonded in a distorted trigonal planar geometry to two P4+ and one H1- atom. The N–H bond length is 1.03 Å. H1- is bonded in a single-bond geometry to one N3- atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to onemore » P4+ atom.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-758989

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; P2HNF4; F-H-N-P

OSTI Identifier:: 1291322

DOI:: https://doi.org/10.17188/1291322

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                    The Materials Project. Materials Data on P2HNF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291322.

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                    The Materials Project. Materials Data on P2HNF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291322

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                    The Materials Project. 2020.  
"Materials Data on P2HNF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291322.  https://www.osti.gov/servlets/purl/1291322. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1291322,

  title        = {Materials Data on P2HNF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {P2NHF4 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four imidodiphosphorous tetrafluoride molecules. there are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two F1- atoms. The P–N bond length is 1.69 Å. Both P–F bond lengths are 1.62 Å. In the second P4+ site, P4+ is bonded in a distorted T-shaped geometry to one N3- and two F1- atoms. The P–N bond length is 1.70 Å. Both P–F bond lengths are 1.62 Å. N3- is bonded in a distorted trigonal planar geometry to two P4+ and one H1- atom. The N–H bond length is 1.03 Å. H1- is bonded in a single-bond geometry to one N3- atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P4+ atom.},

  doi          = {10.17188/1291322},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1291322

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