Inorganic Solid Phases

(Hg5+xCu1−x)Cs1−xAs4S12, x ≈ 0 (Cs0.95Ag0.16Cu0.89Zn0.85Hg4.1Sb0.16As3.64S12.19) Crystal Structure

General Information

  • Phase Label(s): Cs0.95Ag0.16Cu0.89Zn0.85Hg4.1Sb0.16As3.64S12.19
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): galkhaite
  • Pearson Symbol: cI46
  • Space Group: 217
  • Phase Prototype: (Cs0.7Tl0.3)Hg5.5As4S12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART BREEZE (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 17 variables; 296 reflections; F > 4σ(F), R = 0.0314; wR = 0.0608
  • Sample Detail(s): galkhaite sample from Italy, Alps, Piedmont, Signols, electron microprobe analysis; (Hg4.10(41)Zn0.85(23)Cu0.89(1)Ag0.16(1))Cs0.95(2)(As3.64(3)Sb0.16(1))S12.19(4), single crystal (determination of cell parameters), single crystal, 0.04×0.05×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.95Ag0.16Cu0.89Zn0.85Hg4.1Sb0.16As3.64S12.19
  • Alphabetic Formula: Ag0.16As3.64Cs0.95Cu0.89Hg4.1S12.19Sb0.16Zn0.85
  • Published Formula: (Hg5+xCu1−x)Cs1−xAs4S12, x ≈ 0
  • Refined Formula: As3.72CsCu2.16Hg3.84S12Sb0.28
  • Wyckoff Sequence: 217,gdca
  • Z Formula Units: 2
  • Density: ρ = 5.30 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_1237062

  • 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