Materials Data on PNCl2 by Materials Project

doi:10.17188/1281809

Title: Materials Data on PNCl2 by Materials Project

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Abstract

PNCl2 is Titanium Disilicide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of eight 14939-36-7 molecules. P5+ is bonded in a distorted trigonal planar geometry to one N3- and two Cl1- atoms. The P–N bond length is 1.50 Å. Both P–Cl bond lengths are 2.02 Å. N3- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-672260

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-N-P; PNCl2; crystal structure

OSTI Identifier:: 1281809

DOI:: https://doi.org/10.17188/1281809

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                    Materials Data on PNCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281809.

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                    Materials Data on PNCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281809

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                    2020.  
"Materials Data on PNCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281809.  https://www.osti.gov/servlets/purl/1281809. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1281809,

  title        = {Materials Data on PNCl2 by Materials Project},

  
  abstractNote = {PNCl2 is Titanium Disilicide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of eight 14939-36-7 molecules. P5+ is bonded in a distorted trigonal planar geometry to one N3- and two Cl1- atoms. The P–N bond length is 1.50 Å. Both P–Cl bond lengths are 2.02 Å. N3- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.},

  doi          = {10.17188/1281809},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1281809

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