Inorganic Solid Phases

duhamelite (Ca0.19Cu0.97Pb0.42Bi0.35[VO4]0.98[SiO4]0.01[AsO4]0.01O0.28[OH]0.63) Crystal Structure

General Information

  • Phase Label(s): Ca0.19Cu0.97Pb0.42Bi0.35[VO4]0.98[SiO4]0.01[AsO4]0.01O0.28[OH]0.63
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mottramite
  • Pearson Symbol: oP32
  • Space Group: 62
  • Phase Prototype: ZnPb[VO4][OH]-b
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, orthosilicate, vanadate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 49 variables; 687 reflections; F > 4σ(F), R = 0.098; wR = 0.201
  • Sample Detail(s): duhamelite sample from Democratic Republic of Congo (Zaire), Katanga (Shaba), electron microprobe analysis; 2.81 wt.% CaO, 25.38 wt.% PbO, 22.22 wt.% Bi2O3, 21.09 wt.% CuO, < 0.05 wt.% ZnO, 24.28 wt.% V2O5, 0.25 wt.% As2O5, 0.17 wt.% SiO2, single crystal (determination of cell parameters), single crystal, 0.015×0.015×0.280 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.19Cu0.97Pb0.42Bi0.35[VO4]0.98[SiO4]0.01[AsO4]0.01O0.28[OH]0.63
  • Alphabetic Formula: [AsO4]0.01Bi0.35Ca0.19Cu0.97O0.28[OH]0.63Pb0.42[SiO4]0.01[VO4]0.98
  • Published Formula: duhamelite
  • Refined Formula: Bi0.32Ca0.29CuH0.69O5Pb0.39V0.91
  • Wyckoff Sequence: 62,dc5a
  • Z Formula Units: 4
  • Density: ρ = 5.64 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_1936214

  • 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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