Inorganic Solid Phases

Ca9.81(1)Zn0.23(1)Sr0.19(1)(PO4)6O0.46(2)(OH)1.54(2) (Sr0.095Ca4.905Zn0.115[PO4]3O0.23[OH]0.77) Crystal Structure

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General Information

  • Phase Label(s): Sr0.095Ca4.905Zn0.115[PO4]3O0.23[OH]0.77
  • 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; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα; λ = 0.154184 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthophosphate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase, RP = 0.097; wRP = 0.091
  • Sample Detail(s): sample prepared from Ca[NO3]2[H2O]4, P2O5, C2H5OH (ethanol), Zn[NO3]2[H2O]6, inductive coupled plasma method; composition confirmed; amounts of β-TCP phase (8.0 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.095Ca4.905Zn0.115[PO4]3O0.23[OH]0.77
  • Alphabetic Formula: Ca4.905O0.23[OH]0.77[PO4]3Sr0.095Zn0.115
  • Published Formula: Ca9.81(1)Zn0.23(1)Sr0.19(1)(PO4)6O0.46(2)(OH)1.54(2)
  • Refined Formula: Ca4.90H0.77O13P3Sr0.10Zn0.11
  • Wyckoff Sequence: 176,ih4feb
  • Z Formula Units: 2
  • Density: ρ = 3.22 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_1632072

  • 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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