Inorganic Solid Phases

Ca2Pb3(AsO4)3Cl (Ca2Pb3[AsO4]3Cl) Crystal Structure

General Information

  • Phase Label(s): Ca2Pb3[AsO4]3Cl
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): hedyphane
  • Pearson Symbol: hP42
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3Cl
  • Measurement Detail(s): Gandolfi photographs (determination of cell parameters), automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 493 reflections; I > 3σ(I), R = 0.076; wR = 0.062
  • Sample Detail(s): hedyphane sample from Sweden, Värmland, Langban, electron microprobe analysis; 10.3 wt.% CaO, 58.0 wt.% PbO2, 28.2 wt.% As2O5, 3.3 wt.% Cl et al., powder (determination of cell parameters), single crystal, 0.12×0.12×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Pb3[AsO4]3Cl
  • Alphabetic Formula: [AsO4]3Ca2ClPb3
  • Published Formula: Ca2Pb3(AsO4)3Cl
  • Refined Formula: As3Ca2ClO12Pb3
  • Wyckoff Sequence: 176,ih4fb
  • Z Formula Units: 2
  • Density: ρ = 5.99 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [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_1616044

  • 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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