Inorganic Solid Phases

(Ni0.97Co0.03)(Sb0.91As0.08Bi0.01)(S0.98As0.02) (Co0.03Ni0.97Bi0.01Sb0.91As0.10S0.98) Crystal Structure

General Information

  • Phase Label(s): Co0.03Ni0.97Bi0.01Sb0.91As0.10S0.98
  • Structure Class(es): pyrite-marcasite family
  • Classification by Properties:
  • Mineral Name(s): ullmannite
  • Pearson Symbol: aP12
  • Space Group: 1
  • Phase Prototype: Ni(As0.4S0.6)2
  • Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1185 reflections; F > 0σ(F), R = 0.034
  • Sample Detail(s): ullmannite sample from Germany, North Rhine-Westphalia, Hamm, Petersbach, electron microprobe analysis; As3.33Bi0.33Co1Ni32.33S32.67Sb30.33, single crystal (determination of cell parameters), single crystal, 0.068×0.068×0.090 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Co0.03Ni0.97Bi0.01Sb0.91As0.10S0.98
  • Alphabetic Formula: As0.10Bi0.01Co0.03Ni0.97S0.98Sb0.91
  • Published Formula: (Ni0.97Co0.03)(Sb0.91As0.08Bi0.01)(S0.98As0.02)
  • Refined Formula: As0.10Bi0.01Co0.03Ni0.97S0.99Sb0.91
  • Wyckoff Sequence: 1,a12
  • Z Formula Units: 4
  • Density: ρ = 6.86 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2042165

  • 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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