Inorganic Solid Phases

Ni(HNCN)2 (H2Ni[NCN]2) Crystal Structure

General Information

  • Phase Label(s): H2Ni[NCN]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP14
  • Space Group: 58
  • Phase Prototype: H2Co[NCN]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Jülich Forschungszentrum, FRJ2-DIDO reactor, SV7 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), neutrons; λ = 0.10952 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanamide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 109 reflections, RP = 0.025; wRP = 0.030; RB = 0.185
  • Sample Detail(s): sample prepared from NiCl2[H2O]6, H2NCN, NH4OH, chemical analysis; 41.37 wt.% Ni, 15.71 wt.% C, 39.61 wt.% N, 2.15 wt.% H, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H2Ni[NCN]2
  • Alphabetic Formula: H2[NCN]2Ni
  • Published Formula: Ni(HNCN)2
  • Refined Formula: C2H2N4Ni
  • Wyckoff Sequence: 58,g3a
  • Z Formula Units: 2
  • Density: ρ = 2.56 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1322874

  • 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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