Inorganic Solid Phases

Bi2Cu3(OH)2O2(PO4)2·2H2O (Cu3Bi2[PO4]2O2[OH]2[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Cu3Bi2[PO4]2O2[OH]2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mrazekite
  • Pearson Symbol: mP84
  • Space Group: 14
  • Phase Prototype: Cu3Bi2[PO4]2O2[OH]2[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens-STOE AED2 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 194 variables; 2995 reflections; F > 3σ(F), R = 0.050; wR = 0.044
  • Sample Detail(s): mrazekite sample from Germany, Hesse, Gadernheim and Reichenbach, Odenwald, electron microprobe analysis; Bi2.05Cu2.99[OH]1.98O2.00[[PO4]1.95[AsO4]0.02[VO4]0.02][H2O]1.88, powder (determination of cell parameters), single crystal, 0.11×0.22×0.28 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu3Bi2[PO4]2O2[OH]2[H2O]2
  • Alphabetic Formula: Bi2Cu3[H2O]2O2[OH]2[PO4]2
  • Published Formula: Bi2Cu3(OH)2O2(PO4)2·2H2O
  • Refined Formula: Bi2Cu3H6O14P2
  • Wyckoff Sequence: 14,e20ca
  • Z Formula Units: 4
  • Density: ρ = 5.00 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
B [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_1014049

  • 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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