Inorganic Solid Phases

Zn3.54Mg0.10Ni0.20Fe2.33Al14.73Cr0.03Ti0.98Sn0.09O30+x(OH)2−x (Mg0.05Zn1.77Ti0.49Fe1.165Ni0.10Al7.365O15[OH]) Crystal Structure

General Information

  • Phase Label(s): Mg0.05Zn1.77Ti0.49Fe1.165Ni0.10Al7.365O15[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zincohögbomite-2N2S
  • Pearson Symbol: hP54
  • Space Group: 186
  • Phase Prototype: Mg0.7Zn0.3Ti0.5Fe2.15Al7.3O15[OH]
  • Measurement Detail(s): automatic diffractometer; 15 (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; 43 variables; 505 reflections; F > 4σ(F), R = 0.0179; wR = 0.0480
  • Sample Detail(s): zincohögbomite sample from Greece, Samos, electron microprobe analysis; Zn3.54Mg0.10Ni0.20Fe2.33Al14.73Cr0.03Ti0.98Sn0.09O30+x[OH]2−x, single crystal (determination of cell parameters), single crystal, 0.125 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.05Zn1.77Ti0.49Fe1.165Ni0.10Al7.365O15[OH]
  • Alphabetic Formula: Al7.365Fe1.165Mg0.05Ni0.10O15[OH]Ti0.49Zn1.77
  • Published Formula: Zn3.54Mg0.10Ni0.20Fe2.33Al14.73Cr0.03Ti0.98Sn0.09O30+x(OH)2−x
  • Refined Formula: Al7.72Fe1.09HO16Ti0.60Zn1.59
  • Wyckoff Sequence: 186,c6b6a3
  • Z Formula Units: 2
  • Density: ρ = 4.28 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1626353

  • 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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