Inorganic Solid Phases

Pb2Cu1.37(Pb0.37Bi0.39Sb0.24)Bi2S7 (Cu1.37Pb2.37Bi2.39Sb0.24S7) Crystal Structure

General Information

  • Phase Label(s): Cu1.37Pb2.37Bi2.39Sb0.24S7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): nuffieldite
  • Pearson Symbol: oP56
  • Space Group: 62
  • Phase Prototype: Cu1.4Pb2(Pb0.4Bi0.4Sb0.2)Bi2S7
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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; 58 variables; 1114 reflections; I > 4σ(I), R = 0.059; wR = 0.069
  • Sample Detail(s): nuffieldite sample from France, Haute-Savoie, Les Houches deposit, electron microprobe analysis; Pb2Cu1.37(Pb0.40Bi0.47Sb0.24)Bi2S7, twinned crystal (determination of cell parameters), single crystal, 0.03×0.03×1.7 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu1.37Pb2.37Bi2.39Sb0.24S7
  • Alphabetic Formula: Bi2.39Cu1.37Pb2.37S7Sb0.24
  • Published Formula: Pb2Cu1.37(Pb0.37Bi0.39Sb0.24)Bi2S7
  • Refined Formula: Bi2.39Cu1.37Pb2.37S7Sb0.24
  • Wyckoff Sequence: 62,c14
  • Z Formula Units: 4
  • Density: ρ = 7.05 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
B [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_1014031

  • 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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