Inorganic Solid Phases

α-In2S3 (lt) (In2S3 rt) Crystal Structure

General Information

  • Phase Label(s): In2S3 rt
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: tI80
  • Space Group: 141
  • Phase Prototype: In2S3
  • Measurement Detail(s): Debye-Scherrer film (determination of cell and structural parameters), X-rays, Cu Kα; λ = 0.1539 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, trial-and-error
  • Sample Detail(s): sample prepared from In(CH3COO)3, H2S, chemical analysis; composition confirmed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: In0.67S
  • Alphabetic Formula: In0.67S
  • Published Formula: α-In2S3 (lt)
  • Refined Formula: In0.67S
  • Wyckoff Sequence: 225,cba
  • Z Formula Units: 4
  • Density: ρ = 4.70 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
sin2(θ) [1]
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_1713149

  • 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