Inorganic Solid Phases

Mg3.8Fe3.2Zn1.6Ti1.0Al18.3O38(OH)2 (Mg1.9Zn0.8Ti0.5Fe1.6Al9.15O19[OH]) Crystal Structure

General Information

  • Phase Label(s): Mg1.9Zn0.8Ti0.5Fe1.6Al9.15O19[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesiohögbomite-2N3S
  • Pearson Symbol: hP68
  • Space Group: 164
  • Phase Prototype: Mg1.9Zn0.8Ti0.5Fe1.6Al9.1O19[OH]
  • Measurement Detail(s): automatic diffractometer; 10 (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 56 variables; 504 reflections; F > 4σ(F), R = 0.0279; wR = 0.0660
  • Sample Detail(s): högbomite sample from Australia, South Australia, Mount Painter Province, Corundum Creek, electron microprobe analysis; Mg3.771Zn1.634Ti0.995Mn2+0.097Fe2+1.602Fe3+1.621Ni2+0.005Cr3+0.002Sn0.001Al18.291O38[OH]2, single crystal (determination of cell parameters), single crystal, 0.050×0.070×0.090 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg1.9Zn0.8Ti0.5Fe1.6Al9.15O19[OH]
  • Alphabetic Formula: Al9.15Fe1.6Mg1.9O19[OH]Ti0.5Zn0.8
  • Published Formula: Mg3.8Fe3.2Zn1.6Ti1.0Al18.3O38(OH)2
  • Refined Formula: Al9Fe1.91HMg1.61O20Ti0.50Zn0.98
  • Wyckoff Sequence: 164,i7fd8c3a
  • Z Formula Units: 2
  • Density: ρ = 3.96 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_1811893

  • 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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