Materials Data on PCl3 by Materials Project

doi:10.17188/1199350

Title: Materials Data on PCl3 by Materials Project

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Abstract

PCl3 is Ammonia-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four phosphorus trichloride molecules. P3+ is bonded in a trigonal non-coplanar geometry to three Cl1- atoms. All P–Cl bond lengths are 2.07 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P3+ atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-23230

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-P; PCl3; crystal structure

OSTI Identifier:: 1199350

DOI:: https://doi.org/10.17188/1199350

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                    Materials Data on PCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199350.

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                    Materials Data on PCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199350

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                    2020.  
"Materials Data on PCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199350.  https://www.osti.gov/servlets/purl/1199350. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1199350,

  title        = {Materials Data on PCl3 by Materials Project},

  
  abstractNote = {PCl3 is Ammonia-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four phosphorus trichloride molecules. P3+ is bonded in a trigonal non-coplanar geometry to three Cl1- atoms. All P–Cl bond lengths are 2.07 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P3+ atom.},

  doi          = {10.17188/1199350},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199350

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