Inorganic Solid Phases

[Mg0.64Al0.36(OH)2](CO3)0.18·0.46H2O; hydrotalcite (Mg0.67Al0.33[CO3]0.17[OH]2[H2O]0.5 hyd) Crystal Structure

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General Information

  • Phase Label(s): Mg0.67Al0.33[CO3]0.17[OH]2[H2O]0.5 hyd
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): hydrotalcite
  • 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; Siemens D501 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonate, hydroxide, hydrate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.0893
  • Sample Detail(s): atomic absorption spectroscopy, gas chromatography, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.64Al0.36[CO3]0.18[OH]2[H2O]0.46
  • Alphabetic Formula: Al0.36[CO3]0.18[H2O]0.46Mg0.64[OH]2
  • Published Formula: [Mg0.64Al0.36(OH)2](CO3)0.18·0.46H2O; hydrotalcite
  • Refined Formula: Al0.33C0.17H3Mg0.67O3
  • Wyckoff Sequence: 166,hc2a
  • Z Formula Units: 3
  • Density: ρ = 2.13 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1921256

  • 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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