Inorganic Solid Phases

[Zn-Al-Cl]0.33 LDH (Zn0.67Al0.33Cl0.33[OH]2[H2O]0.67) Crystal Structure

General Information

  • Phase Label(s): Zn0.67Al0.33Cl0.33[OH]2[H2O]0.67
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR12
  • Space Group: 166
  • Phase Prototype: (Mg0.775Fe0.225)(Cl0.25[H2O]0.75)0.8[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert MPD (determination of structural parameters), X-rays, Cu Kα; λ = 0.1541 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.031; wRP = 0.396; RB = 0.097
  • Sample Detail(s): sample prepared from NaCl, AlCl3, ZnCl2, NaOH, chemical analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn0.67Al0.33Cl0.33[OH]2[H2O]0.41
  • Alphabetic Formula: Al0.33Cl0.33[H2O]0.41[OH]2Zn0.67
  • Published Formula: [Zn-Al-Cl]0.33 LDH
  • Refined Formula: Al0.33Cl0.33H2.82O2.41Zn0.67
  • Wyckoff Sequence: 166,hca
  • Z Formula Units: 3
  • Density: ρ = 2.75 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_1629610

  • 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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