Inorganic Solid Phases

Fe0.93S (FeS mac) Crystal Structure

General Information

  • Phase Label(s): FeS mac
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM, metal, nonmetal
  • Mineral Name(s): mackinawite
  • Pearson Symbol: tP4
  • Space Group: 129
  • Phase Prototype: PbO
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wRP = 0.0354
  • Sample Detail(s): sample prepared from K0.8Fe1.6S2, Fe, NaOH, thiourea, energy-dispersive X-ray analysis, inductive coupled plasma method, ICSA; Fe0.919(8)S; Fe0.910(8)S; Fe0.895(10)S, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe0.93S
  • Alphabetic Formula: Fe0.93S
  • Published Formula: Fe0.93S
  • Refined Formula: Fe0.93S
  • Wyckoff Sequence: 129,ca
  • Z Formula Units: 2
  • Density: ρ = 4.10 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_1043793

  • 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