Inorganic Solid Phases

[Mg4Al2(OH)12](CO3)(H2O)3 (Mg4Al2[CO3][OH]12[H2O]3 rhom) Crystal Structure

General Information

  • Phase Label(s): Mg4Al2[CO3][OH]12[H2O]3 rhom
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): quintinite 2H-3c
  • Pearson Symbol: hR153
  • Space Group: 155
  • Phase Prototype: Mg4Al2[CO3][OH]12[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 59 variables; 668 reflections, R = 0.072; wR = 0.203
  • Sample Detail(s): quintinite sample from Russia, Kola Peninsula, Kovdor massif, wavelength-dispersive X-ray spectroscopy; (Mg4.01Al1.99[OH]12)[CO3]0.99[H2O]3, single crystal (determination of cell parameters), single crystal, 0.02×0.14×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg4Al2[CO3][OH]12[H2O]3
  • Alphabetic Formula: Al2[CO3][H2O]3Mg4[OH]12
  • Published Formula: [Mg4Al2(OH)12](CO3)(H2O)3
  • Refined Formula: Al2C1.02H13.98Mg4O19.62
  • Wyckoff Sequence: 155,f5e2d2c4a
  • Z Formula Units: 3
  • 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

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_1225305

  • 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

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