Inorganic Solid Phases

[Sb7Se8Br2][AlX4]3, X= Cl0.15Br0.85 (Al3Sb7Se8Br12.20Cl1.80) Crystal Structure

General Information

  • Phase Label(s): Al3Sb7Se8Br12.20Cl1.80
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP128
  • Space Group: 19
  • Phase Prototype: Al3Sb7S8Br2Cl12
  • 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): bromide, chloride, selenide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 295 variables; 6595 reflections; F > 4σ(F), R = 0.041; wR = 0.089
  • Sample Detail(s): sample prepared from C8N2H15Br (1-butyl-3-methylimidazolium bromide), AlCl3, AlBr3, Sb, Se, NbCl5, energy-dispersive X-ray analysis; no Nb detected, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Al3Sb7Se8Br12.20Cl1.80
  • Alphabetic Formula: Al3Br12.20Cl1.80Sb7Se8
  • Published Formula: [Sb7Se8Br2][AlX4]3, X= Cl0.15Br0.85
  • Refined Formula: Al3Br12.20Cl1.80Sb7Se8
  • Wyckoff Sequence: 19,a32
  • Z Formula Units: 4
  • Density: ρ = 4.26 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_1605991

  • 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