Materials Data on Pd(NCl)2 by Materials Project

doi:10.17188/1675669

Title: Materials Data on Pd(NCl)2 by Materials Project

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Abstract

Pd(NCl)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Pd(NCl)2 ribbon oriented in the (0, 1, 0) direction. Pd2+ is bonded in a 4-coordinate geometry to two N and two Cl1- atoms. There is one shorter (1.94 Å) and one longer (1.97 Å) Pd–N bond length. There are one shorter (2.50 Å) and one longer (2.53 Å) Pd–Cl bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in an L-shaped geometry to one Pd2+ and one Cl1- atom. The N–Cl bond length is 1.69 Å. In the second N site, N is bonded in a bent 120 degrees geometry to one Pd2+ and one Cl1- atom. The N–Cl bond length is 1.70 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Pd2+ and one N atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pd2+ and one N atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1069726

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-Pd; Pd(NCl)2; crystal structure

OSTI Identifier:: 1675669

DOI:: https://doi.org/10.17188/1675669

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                    Materials Data on Pd(NCl)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675669.

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                    Materials Data on Pd(NCl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675669

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                    2020.  
"Materials Data on Pd(NCl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675669.  https://www.osti.gov/servlets/purl/1675669. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1675669,

  title        = {Materials Data on Pd(NCl)2 by Materials Project},

  
  abstractNote = {Pd(NCl)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Pd(NCl)2 ribbon oriented in the (0, 1, 0) direction. Pd2+ is bonded in a 4-coordinate geometry to two N and two Cl1- atoms. There is one shorter (1.94 Å) and one longer (1.97 Å) Pd–N bond length. There are one shorter (2.50 Å) and one longer (2.53 Å) Pd–Cl bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in an L-shaped geometry to one Pd2+ and one Cl1- atom. The N–Cl bond length is 1.69 Å. In the second N site, N is bonded in a bent 120 degrees geometry to one Pd2+ and one Cl1- atom. The N–Cl bond length is 1.70 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Pd2+ and one N atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pd2+ and one N atom.},

  doi          = {10.17188/1675669},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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