Inorganic Solid Phases

AlOO(D0.967H0.033) (AlO[OH]0.33[OD]0.67) Crystal Structure

General Information

  • Phase Label(s): AlO[OH]0.33[OD]0.67
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): böhmite-D
  • Pearson Symbol: oS12
  • Space Group: 63
  • Phase Prototype: FeO[OH]
  • Measurement Detail(s): automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, GPPD (determination of structural parameters), neutrons, time-of-flight (determination of structural parameters), T = 291.3 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide-D, hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 350 reflections, wRP = 0.0371
  • Sample Detail(s): böhmite sample from, sample prepared from Al[OH]3, heavy water, X-ray fluorescence spectroscopy, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: AlO[OH]0.033[OD]0.967
  • Alphabetic Formula: AlO[OD]0.967[OH]0.033
  • Published Formula: AlOO(D0.967H0.033)
  • Refined Formula: AlD0.97H0.03O2
  • Wyckoff Sequence: 63,c3
  • Z Formula Units: 4
  • Density: ρ = 3.13 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

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_2110210

  • 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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