Inorganic Solid Phases

Pb2Cu2+4(Te6+O6)2(H2O)2 (Cu2Pb[TeO6][H2O]) Crystal Structure

General Information

  • Phase Label(s): Cu2Pb[TeO6][H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): paratimroseite
  • Pearson Symbol: oP44
  • Space Group: 19
  • Phase Prototype: Cu2Pb[TeO6][H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS SPIDER (determination of structural parameters), X-rays, Mo Kα; λ = 0.071075 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hexaoxotellurate(VI), hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, full-matrix least-squares refinement on F2; 91 variables; 884 reflections, R = 0.050; wR = 0.078
  • Sample Detail(s): paratimroseite sample from U.S.A. California, Baker, Mt. Otto, electron microprobe analysis; Pb1.94Cu2+3.96Te6+2.03O12[H2O]1.99Cl0.01, single crystal (determination of cell parameters), single crystal, 0.006×0.025×0.045 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu2Pb[TeO6][H2O]
  • Alphabetic Formula: Cu2[H2O]Pb[TeO6]
  • Published Formula: Pb2Cu2+4(Te6+O6)2(H2O)2
  • Refined Formula: Cu2H2O7PbTe
  • Wyckoff Sequence: 19,a11
  • Z Formula Units: 4
  • Density: ρ = 6.56 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1225034

  • 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