Inorganic Solid Phases

Ag14.52Cu1.48As2S11 (T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Ag14.52Cu1.48As2S11 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pearceite T2a2bc
  • Pearson Symbol: hP118
  • Space Group: 150
  • Phase Prototype: (Ag0.9Cu0.1)16Sb2S11
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker-Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 186 variables; 4639 reflections; I > 2σ(I), R = 0.0426; wR = 0.0898
  • Sample Detail(s): arsenpolybasite sample from Czech Republic, Karlovy Vary Region, Krusne Hory, Jachymov (Sankt Joachimsthal), electron microprobe analysis; (Ag14.77Cu1.08Bi0.01Pb0.01Fe0.01Au0.01)(As1.75Sb0.08)(S11.23Te0.03), twinned crystal (determination of cell parameters), twinned crystal, 0.10×0.11×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag14.52Cu1.48As2S11
  • Alphabetic Formula: Ag14.52As2Cu1.48S11
  • Published Formula: Ag14.52Cu1.48As2S11
  • Refined Formula: Ag14.52As2Cu1.48S11
  • Wyckoff Sequence: 150,g17f2ed2ca
  • Z Formula Units: 4
  • Density: ρ = 6.17 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1217244

  • 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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