Inorganic Solid Phases

(Co,Fe)AsS, glaucodot (Fe1.5Co1.5As3S3) Crystal Structure

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General Information

  • Phase Label(s): Fe1.5Co1.5As3S3
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): glaucodot
  • Pearson Symbol: oP18
  • Space Group: 31
  • Phase Prototype: Fe(Fe0.5Co0.5)CoAs3S3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 62 variables; 1095 reflections; I > 2σ(I), R = 0.020; wR = 0.053
  • Sample Detail(s): glaucodot sample from Sweden, Vastmanland, Lindesberg, Hakansboda, electron microprobe analysis; Co0.52Fe0.47Ni0.01As1.00S1.00, single crystal (determination of cell parameters), single crystal, 0.06×0.06×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe1.5Co1.5As3S3
  • Alphabetic Formula: As3Co1.5Fe1.5S3
  • Published Formula: (Co,Fe)AsS, glaucodot
  • Refined Formula: As3Co1.50Fe1.50S3
  • Wyckoff Sequence: 31,a9
  • Z Formula Units: 2
  • Density: ρ = 6.17 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]

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_1927400

  • 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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