Inorganic Solid Phases

α-Ni3S2 (Ni3S2) Crystal Structure

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General Information

  • Phase Label(s): Ni3S2
  • Structure Class(es): –
  • Classification by Properties: Pauli paramagnet, metal
  • Mineral Name(s): heazlewoodite
  • Pearson Symbol: hR15
  • Space Group: 155
  • Phase Prototype: Ni3S2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Norway, Kjeller, Institute for Energy Technology, JEEP II reactor, OPUS III (determination of structural parameters), neutrons; λ = 0.1877 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 22 reflections, RB = 0.040
  • Sample Detail(s): heazlewoodite sample from synthetic, sample prepared from Ni, S, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ni3S2
  • Alphabetic Formula: Ni3S2
  • Published Formula: α-Ni3S2
  • Refined Formula: Ni3S2
  • Wyckoff Sequence: 155,dc
  • Z Formula Units: 3
  • Density: ρ = 5.88 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1251793

  • 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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