Inorganic Solid Phases

Ag3(Sb,As)2SbS6 (Ag3Bi0.03Sb2.93As0.04S6) Crystal Structure

General Information

  • Phase Label(s): Ag3Bi0.03Sb2.93As0.04S6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): baumstarkite
  • Pearson Symbol: aP24
  • Space Group: 2
  • Phase Prototype: Ag3BiSb2S6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius (determination of structural parameters), X-rays, Mo Kα (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; 113 variables; 2867 reflections; F > 4σ(F), R = 0.057; wR = 0.128
  • Sample Detail(s): baumstarkite sample from Peru, Huancavelica, San Genaro mine, electron microprobe analysis; 40.2 wt.% Sb, 36.3 wt.% Ag, 22.0 wt.% S, 0.7 wt.% As, single crystal (determination of cell parameters), single crystal, 0.030×0.055×0.105 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag3Bi0.03Sb2.93As0.04S6
  • Alphabetic Formula: Ag3As0.04Bi0.03S6Sb2.93
  • Published Formula: Ag3(Sb,As)2SbS6
  • Refined Formula: Ag3As0.04Bi0.03S6Sb2.93
  • Wyckoff Sequence: 2,i12
  • Z Formula Units: 2
  • Density: ρ = 5.40 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_1811910

  • 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