Inorganic Solid Phases

(Mg8.2Fe1.2Zn0.2)(Al22.7Fe0.1)Ti1.6O46(OH)2 (Mg4.1Zn0.1Ti0.8Fe0.65Al11.35O23[OH]) Crystal Structure

General Information

  • Phase Label(s): Mg4.1Zn0.1Ti0.8Fe0.65Al11.35O23[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesiohögbomite-2N4S
  • Pearson Symbol: hP82
  • Space Group: 186
  • Phase Prototype: Mg4.1Zn0.1Ti0.8Fe0.65Al11.35O23[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (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): positions of non-H atoms determined; absolute structure determined, least-squares refinement; 104 variables; 2424 reflections; I > 2σ(I), R = 0.0274; wR = 0.0751
  • Sample Detail(s): magnesiohögbomite sample from Antarctica, Queen Maud Land, Sor Rondane Mountains, energy-dispersive X-ray analysis; 0.05 wt.% SiO2, 7.08 wt.% TiO2, 0.15 wt.% SnO2, 66.03 wt.% Al2O3, 0.02 wt.% Cr2O3, 0.50 wt.% Fe2O3, 4.87 wt.% FeO, 0.06 wt.% MnO, 18.71 wt.% MgO, 0.96 wt.% ZnO, 23.9 wt.% FeO, 0.02 wt.% CoO, 0.06 wt.% F, 1.00 wt.% H2O, (Cl, NiO, CaO-0.01 %), single crystal (determination of cell parameters), single crystal, 0.23×0.30×32 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg4.1Zn0.1Ti0.8Fe0.65Al11.35O23[OH]
  • Alphabetic Formula: Al11.35Fe0.65Mg4.1O23[OH]Ti0.8Zn0.1
  • Published Formula: (Mg8.2Fe1.2Zn0.2)(Al22.7Fe0.1)Ti1.6O46(OH)2
  • Refined Formula: Al11Fe0.78HMg4.22O24Ti
  • Wyckoff Sequence: 186,c9b9a5
  • Z Formula Units: 2
  • Density: ρ = 3.71 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [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_1229535

  • 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

    Citation copied