Inorganic Solid Phases

[PdCl2(CH4N6)2] (PdCl2[CN6H4]2) Crystal Structure

General Information

  • Phase Label(s): PdCl2[CN6H4]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP34
  • Space Group: 14
  • Phase Prototype: PdCl2[CN6H4]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; HZG-4A (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 50 variables; 867 reflections, RP = 0.039; wRP = 0.051; RB = 0.048
  • Sample Detail(s): sample prepared from PdCl2[H2O]2, 1,5-diamino-1H-tetrazole, chemical analysis; 28.0 wt.% Pd, 18.4 wt.% Cl, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: PdCl2[CN6H4]2
  • Alphabetic Formula: [CN6H4]2Cl2Pd
  • Published Formula: [PdCl2(CH4N6)2]
  • Refined Formula: C2Cl2H8N12Pd
  • Wyckoff Sequence: 14,e8a
  • Z Formula Units: 2
  • Density: ρ = 2.15 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1719735

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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