Inorganic Solid Phases

Al14.61Fe2.84Fe1.44Mg1.44Ti1.00Zn0.60(Ga,Mn,Na)0.11O30(OH)2 (Mg0.7Zn0.3Ti0.5Fe2.15Al7.3O15[OH]) Crystal Structure

General Information

  • Phase Label(s): Mg0.7Zn0.3Ti0.5Fe2.15Al7.3O15[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ferrohögbomite-2N2S
  • Pearson Symbol: hP54
  • Space Group: 186
  • Phase Prototype: Mg0.7Zn0.3Ti0.5Fe2.15Al7.3O15[OH]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1425 reflections; F > 6σ(F), R = 0.032; wR = 0.031
  • Sample Detail(s): högbomite sample from Australia, Northern Territory, Strangways Range, electron microprobe analysis; 31.00 wt.% Al, 18.79 wt.% Fe, 3.75 wt.% Ti, 2.68 wt.% Mg, 3.10 wt.% Zn, single crystal (determination of cell parameters), single crystal, 0.13×0.14×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.7Zn0.3Ti0.5Fe2.15Al7.3O15[OH]
  • Alphabetic Formula: Al7.3Fe2.15Mg0.7O15[OH]Ti0.5Zn0.3
  • Published Formula: Al14.61Fe2.84Fe1.44Mg1.44Ti1.00Zn0.60(Ga,Mn,Na)0.11O30(OH)2
  • Refined Formula: Al7.20Fe2.09HMg0.63O16Ti0.50Zn0.29
  • Wyckoff Sequence: 186,c6b6a3
  • Z Formula Units: 2
  • Density: ρ = 4.03 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
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615985

  • 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