Inorganic Solid Phases

AlCl3·6H2O (AlCl3[H2O]6) Crystal Structure

General Information

  • Phase Label(s): AlCl3[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chloraluminite
  • Pearson Symbol: hR60
  • Space Group: 167
  • Phase Prototype: CrCl3[H2O]6
  • Measurement Detail(s): diffractometer; 85 (determination of cell parameters), precession and Weissenberg photographs (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 355 reflections, R = 0.083; wR = 0.103
  • Sample Detail(s): sample prepared from AlCl3, powder (determination of cell parameters), single crystal, 0.67×0.67×3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: AlCl3[H2O]6
  • Alphabetic Formula: AlCl3[H2O]6
  • Published Formula: AlCl3·6H2O
  • Refined Formula: AlCl3H12O6
  • Wyckoff Sequence: 167,feb
  • Z Formula Units: 6
  • Density: ρ = 1.67 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1501376

  • 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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