Materials Data on Pd(NCl)2 by Materials Project

doi:10.17188/1708194

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 (1, 0, 0) direction. Pd2+ is bonded in a distorted rectangular see-saw-like geometry to four N atoms. There are three shorter (2.01 Å) and one longer (2.02 Å) Pd–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Cl1- atom. The N–Cl bond length is 1.66 Å. In the second N site, N is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Cl1- atom. The N–Cl bond length is 1.66 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1179931

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; Pd(NCl)2; Cl-N-Pd

OSTI Identifier:: 1708194

DOI:: https://doi.org/10.17188/1708194

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                    The Materials Project. Materials Data on Pd(NCl)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708194.

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                    The Materials Project. Materials Data on Pd(NCl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708194

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                    The Materials Project. 2020.  
"Materials Data on Pd(NCl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708194.  https://www.osti.gov/servlets/purl/1708194. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1708194,

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

  author       = {The 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 (1, 0, 0) direction. Pd2+ is bonded in a distorted rectangular see-saw-like geometry to four N atoms. There are three shorter (2.01 Å) and one longer (2.02 Å) Pd–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Cl1- atom. The N–Cl bond length is 1.66 Å. In the second N site, N is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Cl1- atom. The N–Cl bond length is 1.66 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N atom.},

  doi          = {10.17188/1708194},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1708194

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