Inorganic Solid Phases

Cu11.1(Te2.7Sb0.9As0.4)S12.1Se0.8 (Cu2.78Sb0.22As0.10Te0.68Se0.2S3.02) Crystal Structure

General Information

  • Phase Label(s): Cu2.78Sb0.22As0.10Te0.68Se0.2S3.02
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): goldfieldite
  • Pearson Symbol: cI56
  • Space Group: 217
  • Phase Prototype: Cu3SbS3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert MPD (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide, selenide, telluride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.101; RB = 0.25
  • Sample Detail(s): goldfieldite sample from Russia, Kamchatka Peninsula, Ozernoya deposit, electron microprobe analysis; Cu11.1Sb0.9As0.4Te2.7Se0.8S12.1, no Bi detected; amounts of quartz (80 wt.%) and pyrite (13 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu2.78Sb0.22As0.10Te0.68Se0.2S3.02
  • Alphabetic Formula: As0.10Cu2.78S3.02Sb0.22Se0.2Te0.68
  • Published Formula: Cu11.1(Te2.7Sb0.9As0.4)S12.1Se0.8
  • Refined Formula: As0.10Cu2.88S2.82Sb0.22Se0.18Te0.68
  • Wyckoff Sequence: 217,gedc
  • Z Formula Units: 8
  • Density: ρ = 4.94 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624153

  • 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)

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