Inorganic Solid Phases

[Ni6(N2H4)6(SO4)4(OH)2(H2O)8](SO4)(H2O)10 (Ni6[SO4]5[OH]2[N2H4]6[H2O]18) Crystal Structure

General Information

  • Phase Label(s): Ni6[SO4]5[OH]2[N2H4]6[H2O]18
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP85
  • Space Group: 2
  • Phase Prototype: Ni6[SO4]5[OH]2[N2H4]6[H2O]18
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Cu Kα; λ = 0.154184 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement; 341 variables; 3514 reflections; I > 2σ(I), R = 0.0489; wR = 0.1428
  • Sample Detail(s): sample prepared from NiSO4[H2O]7, [N2H4][H2O], chemical analysis, single crystal (determination of cell parameters), single crystal, 0.2×0.3×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ni6[SO4]5[OH]2[N2H4]6[H2O]18
  • Alphabetic Formula: [H2O]18[N2H4]6Ni6[OH]2[SO4]5
  • Published Formula: [Ni6(N2H4)6(SO4)4(OH)2(H2O)8](SO4)(H2O)10
  • Refined Formula: H62N12Ni6O40S5
  • Wyckoff Sequence: 2,i42g
  • Z Formula Units: 1
  • Density: ρ = 2.06 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1630980

  • 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

    Citation copied