Inorganic Solid Phases

[(Zn0.50.5)(Al1.8Zn0.10.1)(OH)6)][SO4]0.3·1.8H2O (Zn1.2Al3.6[SO4]0.6[OH]12[H2O]3.6) Crystal Structure

General Information

  • Phase Label(s): Zn1.2Al3.6[SO4]0.6[OH]12[H2O]3.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP100
  • Space Group: 14
  • Phase Prototype: (Zn0.4Ni0.6)Al4[SO4][OH]12[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.1054; wRP = 0.1362; RB = 0.1066
  • Sample Detail(s): sample prepared from bayerite, ZnSO4, atomic absorption spectroscopy, thermogravimetry, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn1.2Al3.6[SO4]0.6[OH]12[H2O]3.6
  • Alphabetic Formula: Al3.6[H2O]3.6[OH]12[SO4]0.6Zn1.2
  • Published Formula: [(Zn0.50.5)(Al1.8Zn0.10.1)(OH)6)][SO4]0.3·1.8H2O
  • Refined Formula: Al3.67H18O19S0.73Zn1.22
  • Wyckoff Sequence: 14,e25
  • Z Formula Units: 4
  • Density: ρ = 2.14 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1631623

  • 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)

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