Inorganic Solid Phases

[CBr3][Sb(OTeF5)6]·SO2ClF ([CBr3]SbTe6O6F30[SO2ClF], T = 100 K) Crystal Structure

General Information

  • Phase Label(s): [CBr3]SbTe6O6F30[SO2ClF]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP208
  • Space Group: 14
  • Phase Prototype: [CBr3]SbTe6O6F30[SO2ClF]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.0621; wR = 0.1211
  • Sample Detail(s): sample prepared from [XeOTeF5][Sb(OTeF5)6], CBr4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [CBr3]SbTe6O6F30[SO2ClF]
  • Alphabetic Formula: [CBr3]F30O6[SO2ClF]SbTe6
  • Published Formula: [CBr3][Sb(OTeF5)6]·SO2ClF
  • Refined Formula: Br3CClF31O8SSbTe6
  • Wyckoff Sequence: 14,e52
  • Z Formula Units: 4
  • Density: ρ = 3.61 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_1121258

  • 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