Inorganic Solid Phases

Ca10−xCox(PO4)3(OH)2, x= 0.5 (Ca4Co[PO4]3[OH]) Crystal Structure

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General Information

  • Phase Label(s): Ca4Co[PO4]3[OH]
  • Structure Class(es): apatite family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP44
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1050 (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthophosphate
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement, RP = 0.094238; wRP = 0.120244
  • Sample Detail(s): sample prepared from Ca[NO3]2, H3PO4, NH3[H2O], Co[NO3]2, inductive coupled plasma method; Ca9.57Co0.43[PO4]6[OH]2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca4.75Co0.25[PO4]3[OH]
  • Alphabetic Formula: Ca4.75Co0.25[OH][PO4]3
  • Published Formula: Ca10−xCox(PO4)3(OH)2, x= 0.5
  • Refined Formula: Ca4.87Co0.13HO13P3
  • Wyckoff Sequence: 176,ih4fe
  • Z Formula Units: 2
  • Density: ρ = 3.19 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1631085

  • 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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