Inorganic Solid Phases

Pb5Cd5(PO4)6F2 (Cd2.5Pb2.5[PO4]3F) Crystal Structure

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General Information

  • Phase Label(s): Cd2.5Pb2.5[PO4]3F
  • Structure Class(es): apatite family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP44
  • Space Group: 176
  • Phase Prototype: (Cd0.25Pb0.75)2Pb3[PO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1710 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 30 variables, RP = 0.082; wRP = 0.112
  • Sample Detail(s): sample prepared from Cd[NO3]2[H2O]4, Pb[NO3]2, [NH4]F, H[NH4]2[PO4], atomic absorption spectroscopy, colorimetry, potentiometry; Pb5.02(3)Cd4.97(2)[PO4]5.98(3)F1.97(3), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cd2.5Pb2.5[PO4]3F
  • Alphabetic Formula: Cd2.5F[PO4]3Pb2.5
  • Published Formula: Pb5Cd5(PO4)6F2
  • Refined Formula: Cd2.42FO12P3Pb2.58
  • Wyckoff Sequence: 176,ih4fe
  • Z Formula Units: 2
  • Density: ρ = 6.63 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1602495

  • 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)

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