Inorganic Solid Phases

[Zn0.67Al0.33(OH)2][SO3]0.165·0.75H2O; [Zn2Al(OH)6][SO3]0.5·2.25H2O, 3R1 polytype (Zn0.67Al0.33[SO3]0.165[OH]2[H2O]0.75) Crystal Structure

General Information

  • Phase Label(s): Zn0.67Al0.33[SO3]0.165[OH]2[H2O]0.75
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR33
  • Space Group: 166
  • Phase Prototype: (Mg0.67Al0.33)[CO3]0.17[OH]2[H2O]0.5
  • 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, sulfite, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.065; wRP = 0.088
  • Sample Detail(s): sample prepared from Al[NO3]3, Zn[NO3]2, Na2SO3, NaOH, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn0.67Al0.33[SO3]0.165[OH]2[H2O]0.75
  • Alphabetic Formula: Al0.33[H2O]0.75[OH]2[SO3]0.165Zn0.67
  • Published Formula: [Zn0.67Al0.33(OH)2][SO3]0.165·0.75H2O; [Zn2Al(OH)6][SO3]0.5·2.25H2O, 3R1 polytype
  • Refined Formula: Al0.34H3.50O3.25S0.17Zn0.66
  • Wyckoff Sequence: 166,hc2a
  • Z Formula Units: 3
  • Density: ρ = 2.94 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_1127766

  • 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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