Inorganic Solid Phases

(Hg5+xCu1−x)Cs1−xAs4S12, x ≈ 0 (Cs0.76Ag0.04Cu1.03Tl0.2Zn0.38Hg4.61Fe0.04Sb0.04As3.81S12.06) Crystal Structure

General Information

  • Phase Label(s): Cs0.76Ag0.04Cu1.03Tl0.2Zn0.38Hg4.61Fe0.04Sb0.04As3.81S12.06
  • 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; 208 reflections; F > 4σ(F), R = 0.0294; wR = 0.0577
  • Sample Detail(s): galkhaite sample from U.S.A. Nevada, Humboldt County, Getchell mine, electron microprobe analysis; (Hg4.61(5)Zn0.38(2)Fe0.04(4)Cu1.03(2)Ag0.04(2))(Cs0.76(6)Tl0.20(8))(As3.81(4)Sb0.04(3))S12.06(6), single crystal (determination of cell parameters), single crystal, 0.04×0.04×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.76Ag0.04Cu1.03Tl0.2Zn0.38Hg4.61Fe0.04Sb0.04As3.81S12.06
  • Alphabetic Formula: Ag0.04As3.81Cs0.76Cu1.03Fe0.04Hg4.61S12.06Sb0.04Tl0.2Zn0.38
  • Published Formula: (Hg5+xCu1−x)Cs1−xAs4S12, x ≈ 0
  • Refined Formula: As3.76Cs0.99Cu1.08Hg4.92S12Sb0.24
  • Wyckoff Sequence: 217,gdca
  • Z Formula Units: 2
  • Density: ρ = 5.43 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_1237060

  • 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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