Inorganic Solid Phases

Cu3Bi(TeO3)2O2Cl (Cu3Bi[TeO3]2ClO2) Crystal Structure

General Information

  • Phase Label(s): Cu3Bi[TeO3]2ClO2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP60
  • Space Group: 62
  • Phase Prototype: Cu3Bi[TeO3]2ClO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): trioxotellurate(IV), chloride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 73 variables; I > 2σ(I), R = 0.0372; wR = 0.1188
  • Sample Detail(s): sample prepared from CuO, CuCl2, TeO2, Bi2O3, energy-dispersive X-ray analysis; 39.4 at.% Cu, 15.4 at.% Bi, 30.3 at.% Te, 14.9 at.% Cl; amounts of unidentified phase, single crystal (determination of cell parameters), single crystal, 0.05×0.05×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu3Bi[TeO3]2ClO2
  • Alphabetic Formula: BiClCu3O2[TeO3]2
  • Published Formula: Cu3Bi(TeO3)2O2Cl
  • Refined Formula: BiClCu3O8Te2
  • Wyckoff Sequence: 62,d6c3
  • Z Formula Units: 4
  • Density: ρ = 6.08 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_1322025

  • 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