Inorganic Solid Phases

2H-Cu2Bi2S3(AlCl4)2 (Cu2Al2Bi2S3Cl8 hex) Crystal Structure

General Information

  • Phase Label(s): Cu2Al2Bi2S3Cl8 hex
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP34
  • Space Group: 176
  • Phase Prototype: Cu2Al2Bi2S3Cl8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 30 variables; 916 reflections; F > 4σ(F), R = 0.018
  • Sample Detail(s): sample prepared from CuCl, Bi2S3, AlCl3, [1-n-butyl-3-methylimidazolium]Cl, energy-dispersive X-ray analysis; Cu15.1(14)Bi13.7(12)S19.6(4)Al16.0(16)Cl35.7(13), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu2Al2Bi2S3Cl8
  • Alphabetic Formula: Al2Bi2Cl8Cu2S3
  • Published Formula: 2H-Cu2Bi2S3(AlCl4)2
  • Refined Formula: Al2Bi2Cl8Cu2S3
  • Wyckoff Sequence: 176,ihf3da
  • Z Formula Units: 2
  • Density: ρ = 3.82 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_1722841

  • 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

    Citation copied