Inorganic Solid Phases

(Fe0.19Co0.27Ni0.54)As1.04S0.96 (Fe0.20Co0.25Ni0.55AsS) Crystal Structure

General Information

  • Phase Label(s): Fe0.20Co0.25Ni0.55AsS
  • Structure Class(es): pyrite-marcasite family
  • Classification by Properties:
  • Mineral Name(s): cobaltite/gersdorffite
  • Pearson Symbol: oP12
  • Space Group: 29
  • Phase Prototype: CoAsS
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement
  • Sample Detail(s): gersdorffite sample from Canada, Ontario, Sudbury, Garson mine, electron microprobe analysis; 6.5 wt.% Fe, 9.3 wt.% Co, 18.8 wt.% Ni, 18.7 wt.% S, 46.8 wt.% As, 0.3 wt.% Sb, powder (determination of cell parameters), twinned crystal, 0.030×0.044×0.108 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe0.19Co0.27Ni0.54As1.04S0.96
  • Alphabetic Formula: As1.04Co0.27Fe0.19Ni0.54S0.96
  • Published Formula: (Fe0.19Co0.27Ni0.54)As1.04S0.96
  • Refined Formula: As1.04Co0.27Fe0.19Ni0.54S0.96
  • Wyckoff Sequence: 29,a3
  • Z Formula Units: 4
  • Density: ρ = 6.24 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_1213174

  • 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)

  • Cite this content

    Citation copied