Inorganic Solid Phases

PbCuAsS3 (CuPbAsS3) Crystal Structure

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General Information

  • Phase Label(s): CuPbAsS3
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): seligmannite
  • Pearson Symbol: oP24
  • Space Group: 31
  • Phase Prototype: CuPbAsS3
  • Measurement Detail(s): photographs (determination of cell parameters), automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement; 2056 reflections; I > 2.33σ(I), R = 0.026
  • Sample Detail(s): sample from Switzerland, Valais (Wallis), Binntal, Lengenbach, electron microprobe analysis; As17.10Cu17.73Pb16.49S48.69; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.194 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: CuPbAsS3
  • Alphabetic Formula: AsCuPbS3
  • Published Formula: PbCuAsS3
  • Refined Formula: AsCuPbS3
  • Wyckoff Sequence: 31,b3a6
  • Z Formula Units: 4
  • Density: ρ = 5.45 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

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
2B12 [nm2]
2B13 [nm2]
2B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1703885

  • 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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