Inorganic Solid Phases

Ag9FeS4.1Te1.9 (Ag9FeTe1.9S4.1 lt, T = 200 K) Crystal Structure

General Information

  • Phase Label(s): Ag9FeTe1.9S4.1 lt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP64
  • Space Group: 198
  • Phase Prototype: Ag9GaSe6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 200 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide, telluride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 66 variables; I > 3σ(I), R = 0.0149; wR = 0.0516
  • Sample Detail(s): sample prepared from Ag, Fe, S, Te, single crystal (determination of cell parameters), single crystal, 0.34×0.46×0.55 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag9FeTe1.9S4.1
  • Alphabetic Formula: Ag9FeS4.1Te1.9
  • Published Formula: Ag9FeS4.1Te1.9
  • Refined Formula: Ag9FeS4.09Te1.91
  • Wyckoff Sequence: 198,b4a4
  • Z Formula Units: 4
  • Density: ρ = 6.95 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

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
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_1636411

  • 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

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