Inorganic Solid Phases

FeIn2Se2S2, ht (FeIn2Se2S2 ht) Crystal Structure

General Information

  • Phase Label(s): FeIn2Se2S2 ht
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM, hard magnet, spin glass
  • Mineral Name(s):
  • Pearson Symbol: hR21
  • Space Group: 166
  • Phase Prototype: MgAl2Se4
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; Seifert MZ-IV (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide, selenide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 17 variables, RP = 0.107; wRP = 0.140; RB = 0.0856
  • Sample Detail(s): sample prepared from FeS, In2S3, Se, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: FeIn2Se2S2
  • Alphabetic Formula: FeIn2S2Se2
  • Published Formula: FeIn2Se2S2, ht
  • Refined Formula: FeIn2S2Se2
  • Wyckoff Sequence: 166,c3a
  • Z Formula Units: 3
  • Density: ρ = 4.90 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

Powder Pattern

published defraction line
d [pm]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1611898

  • 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