Inorganic Solid Phases

Ba2In1.7S0.3O5.45 Crystal Structure

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General Information

  • Phase Label(s): Ba2In1.7S0.3O5.45
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oI44
  • Space Group: 74
  • Phase Prototype: Sr2Fe2O5
  • Measurement Detail(s): automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-ID-C beamline (determination of structural parameters), X-rays; λ = 0.0107980 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide, sulfide
  • Interpretation Detail(s): complete structure determined, PDF refinement, wRP = 0.082
  • Sample Detail(s): sample prepared from BaCO3, In2O3, [NH4]2SO4, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba2In1.7S0.3O5.45
  • Alphabetic Formula: Ba2In1.7O5.45S0.3
  • Published Formula: Ba2In1.7S0.3O5.45
  • Refined Formula: Ba2In1.73O5S0.27
  • Wyckoff Sequence: 74,i2h2ga
  • Z Formula Units: 4
  • Density: ρ = 6.34 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1021470

  • 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)

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