Inorganic Solid Phases

Fe2+4Fe3+8Sb3+12O32S2 (Zn0.5Fe5Sb5.9As0.6SO16) Crystal Structure

General Information

  • Phase Label(s): Zn0.5Fe5Sb5.9As0.6SO16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): versiliaite
  • Pearson Symbol: oP58
  • Space Group: 55
  • Phase Prototype: Zn0.5Fe5Sb0.5(Sb0.9As0.1)6SO16
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1289 reflections; I > 3σ(I), R = 0.072
  • Sample Detail(s): versiliaite sample from, electron microprobe analysis; (Fe2+4.65Zn1.04Fe3+2.43)(Fe3+2.90Sb3+11.76As3+1.34)O32S1.33, single crystal (determination of cell parameters), single crystal, 0.07×0.16×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Zn0.5Fe5Sb5.9As0.6SO16
  • Alphabetic Formula: As0.6Fe5O16SSb5.9Zn0.5
  • Published Formula: Fe2+4Fe3+8Sb3+12O32S2
  • Refined Formula: As0.60Fe5O16SSb5.90Zn0.50
  • Wyckoff Sequence: 55,i4h2g2e2c
  • Z Formula Units: 2
  • Density: ρ = 5.36 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615894

  • 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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