Inorganic Solid Phases

Ca10(PO4)6Cu0.72O1.44[OH]0.56 (Ca5Cu0.3[PO4]3O0.6[OH]0.4) Crystal Structure

General Information

  • Phase Label(s): Ca5Cu0.3[PO4]3O0.6[OH]0.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP46
  • Space Group: 176
  • Phase Prototype: Ca5Cu0.27[PO4]3O0.54[OH]0.32
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Lucas Heights, Australian Nuclear Science and Technology Organisation, HIFAR reactor, HRPD (determination of structural parameters), neutrons; λ = 0.1883 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 37 variables, RP = 0.0578; wRP = 0.0739
  • Sample Detail(s): sample prepared from CaCO3, NH4H2PO4, CuO, electron microprobe analysis; Ca/P/Cu ratio 1.71/1/0.12, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca5Cu0.36[PO4]3O0.72[OH]0.28
  • Alphabetic Formula: Ca5Cu0.36O0.72[OH]0.28[PO4]3
  • Published Formula: Ca10(PO4)6Cu0.72O1.44[OH]0.56
  • Refined Formula: Ca5Cu0.36H0.28O13P3
  • Wyckoff Sequence: 176,ih4feb
  • Z Formula Units: 2
  • Density: ρ = 3.26 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1125502

  • 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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