Inorganic Solid Phases

[Ni(Ur)6][I3]2·2Ur, Ur= OC(NH2)2 (Ni[I3]2[CON2H4]8) Crystal Structure

General Information

  • Phase Label(s): Ni[I3]2[CON2H4]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS176
  • Space Group: 5
  • Phase Prototype: Ni[I3]2[CON2H4]8
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): triiodide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 3343 reflections; I > 2σ(I), R = 0.030; wR = 0.083
  • Sample Detail(s): sample prepared from NiI2[H2O]6, I2, urea, chemical analysis; 4.31 wt.% Ni, 39.12 wt.% I2, 8.87 wt.% N, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Ni[I3]2[CON2H4]8
  • Alphabetic Formula: [CON2H4]8[I3]2Ni
  • Published Formula: [Ni(Ur)6][I3]2·2Ur, Ur= OC(NH2)2
  • Refined Formula: C8H32I6N16NiO8
  • Wyckoff Sequence: 5,c43ba
  • Z Formula Units: 4
  • Density: ρ = 2.44 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_1020872

  • 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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