Inorganic Solid Phases

Ni9(Bi1.3Sb0.7)S8 (Ni9Bi1.3Sb0.7S8) Crystal Structure

General Information

  • Phase Label(s): Ni9Bi1.3Sb0.7S8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP19
  • Space Group: 123
  • Phase Prototype: Ni9Bi(Bi0.3Sb0.7)S8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 271 reflections; F2 > 3σ(F2), R = 0.067; wR = 0.115
  • Sample Detail(s): sample from Germany, North Rhine-Westphalia, Friedrich mine, comparison of cell parameters; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.13×0.29×0.29 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ni9Bi1.3Sb0.7S8
  • Alphabetic Formula: Bi1.3Ni9S8Sb0.7
  • Published Formula: Ni9(Bi1.3Sb0.7)S8
  • Refined Formula: Bi1.30Ni9S8Sb0.70
  • Wyckoff Sequence: 123,tlkcba
  • Z Formula Units: 1
  • Density: ρ = 6.59 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1611140

  • 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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