Inorganic Solid Phases

Bi5.625Cu2.062(PO4)3O6 (Cu2.062Bi5.625[PO4]3O6) Crystal Structure

General Information

  • Phase Label(s): Cu2.062Bi5.625[PO4]3O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP120
  • Space Group: 11
  • Phase Prototype: Cu2.07Bi5.62[PO4]3O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F; 217 variables; 1239 reflections; I > 3σ(I), R = 0.0635; wR = 0.0621
  • Sample Detail(s): sample prepared from Bi5Cu2P3O17, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu2.062Bi5.625[PO4]3O6
  • Alphabetic Formula: Bi5.625Cu2.062O6[PO4]3
  • Published Formula: Bi5.625Cu2.062(PO4)3O6
  • Refined Formula: Bi5.69Cu2.41O18P3
  • Wyckoff Sequence: 11,f12e36
  • Z Formula Units: 4
  • Density: ρ = 7.35 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_1212185

  • 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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