Inorganic Solid Phases

Zn14(Al,Fe3+,Ti,Mg)8Al24O62(OH)2, Zn13.03Mg0.49Fe3+2.12Ti1.15Al29.21O62(OH)2 (Mg0.3Zn6.7TiFeAl14O31[OH]) Crystal Structure

General Information

  • Phase Label(s): Mg0.3Zn6.7TiFeAl14O31[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesiohögbomite-2N6S
  • Pearson Symbol: hP110
  • Space Group: 186
  • Phase Prototype: (Mg0.04Zn0.96)7(Ti0.33Al0.67)3FeAl12O31[OH]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 79 variables; 518 reflections; F > 4σ(F), R = 0.0242; wR = 0.0763
  • Sample Detail(s): högbomite sample from Macedonia, Nezilovo, electron microprobe analysis; Zn13.03Mg0.49Fe3+2.12Ti1.15Al29.21O62[OH]2; 52.99 wt.% Al2O3, 37.74 wt.% ZnO, 6.02 wt.% Fe2O3, 3.27 wt.% TiO2, 0.70 wt.% MgO, single crystal (determination of cell parameters), single crystal, 0.7 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.3Zn6.7TiFeAl14O31[OH]
  • Alphabetic Formula: Al14FeMg0.3O31[OH]TiZn6.7
  • Published Formula: Zn14(Al,Fe3+,Ti,Mg)8Al24O62(OH)2, Zn13.03Mg0.49Fe3+2.12Ti1.15Al29.21O62(OH)2
  • Refined Formula: Al14.38FeHMg0.47O32Ti0.78Zn6.37
  • Wyckoff Sequence: 186,c12b13a6
  • Z Formula Units: 2
  • Density: ρ = 4.53 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812089

  • 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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