Inorganic Solid Phases

Cu20Sb35O44Br37 (Cu20Sb35Br37O44) Crystal Structure

General Information

  • Phase Label(s): Cu20Sb35Br37O44
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI362
  • Space Group: 139
  • Phase Prototype: Cu20Sb35Br37O44
  • Measurement Detail(s): automatic diffractometer; Oxford Diffraction Xcalibur 3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 293(1) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 105 variables; I > 3σ(I), R = 0.0699; wR = 0.0941
  • Sample Detail(s): sample prepared from Sb2O3 (valentinite), CuBr2, energy-dispersive X-ray analysis; Br, Cu and Sb content analyzed, single crystal, 0.04×0.06×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu20Sb35Br37O44
  • Alphabetic Formula: Br37Cu20O44Sb35
  • Published Formula: Cu20Sb35O44Br37
  • Refined Formula: Br38.44Cu20O42.56Sb35.49
  • Wyckoff Sequence: 139,o4n6m3lkj2ih2ge2a
  • Z Formula Units: 2
  • Density: ρ = 5.39 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1715909

  • 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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