Inorganic Solid Phases

Pt5Pd2NiS8 (Ni0.5Pt2.5PdS4) Crystal Structure

General Information

  • Phase Label(s): Ni0.5Pt2.5PdS4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): braggite
  • Pearson Symbol: tP16
  • Space Group: 84
  • Phase Prototype: (Ni0.17Pt0.83)3PdS4
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1475 reflections; I > 1.65σ(I), R = 0.068
  • Sample Detail(s): braggite sample from South Africa, Limpopo Province, Potgietersrust District, electron microprobe analysis; (Pt0.64Pd0.27Ni0.14)S1.00, single crystal (determination of cell parameters), single crystal, 0.082 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ni0.5Pt2.5PdS4
  • Alphabetic Formula: Ni0.5PdPt2.5S4
  • Published Formula: Pt5Pd2NiS8
  • Refined Formula: Ni0.50PdPt2.50S4
  • Wyckoff Sequence: 84,kjec
  • Z Formula Units: 2
  • Density: ρ = 9.34 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

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_1000278

  • 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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