Inorganic Solid Phases

Cu31S16 Crystal Structure

General Information

  • Phase Label(s): Cu31S16 rt dju
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): djurleite
  • Pearson Symbol: mP376
  • Space Group: 14
  • Phase Prototype: Cu31S16
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement; 849 variables; 5686 reflections; F > 3σ(F), R = 0.116; wR = 0.088
  • Sample Detail(s): djurleite sample from U.S.A. Missouri, Sweetwater, Ozark Lead Co. mine, powder (determination of cell parameters), single crystal, 0.025×0.3×0.6 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu31S16
  • Alphabetic Formula: Cu31S16
  • Published Formula: Cu31S16
  • Refined Formula: Cu31S16
  • Wyckoff Sequence: 14,e94
  • Z Formula Units: 8
  • Density: ρ = 5.78 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

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_1251001

  • 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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