Inorganic Solid Phases

NiAl4(SO4)(OH)12(H2O)3 (Zn0.4Ni0.6Al4[SO4][OH]12[H2O]3) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Zn0.4Ni0.6Al4[SO4][OH]12[H2O]3
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): nickelalumite [not IMA]
  • Pearson Symbol: mP100
  • Space Group: 14
  • Phase Prototype: (Zn0.4Ni0.6)Al4[SO4][OH]12[H2O]3
  • Measurement Detail(s): automatic diffractometer; 3365 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 1554 reflections; F > 4σ(F), R = 0.057; wR = 0.1672
  • Sample Detail(s): nickelalumite sample from Kyrgyzstan, Batken region, Kara-Tangi deposit, electron microprobe analysis; (Ni0.55Zn0.39V0.02Fe0.01)(Al3.99Si0.01)[SO4][OH]12[H2O]3, single crystal (determination of cell parameters), single crystal, 0.02×0.06×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Zn0.4Ni0.6Al4[SO4][OH]12[H2O]3
  • Alphabetic Formula: Al4[H2O]3Ni0.6[OH]12[SO4]Zn0.4
  • Published Formula: NiAl4(SO4)(OH)12(H2O)3
  • Refined Formula: Al4Fe0.01H18Ni0.55O19SV0.02Zn0.39
  • Wyckoff Sequence: 14,e25
  • Z Formula Units: 4
  • Density: ρ = 2.24 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1322167

  • 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

    Download this citation

    Citation copied