Inorganic Solid Phases

Ca10Zn0.25(1)(PO4)6O0.50(2)(OH)1.50(2) (Ca5Zn0.15[PO4]3O0.35[OH]0.6) Crystal Structure

General Information

  • Phase Label(s): Ca5Zn0.15[PO4]3O0.35[OH]0.6
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • 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; composition dependence studied, Rietveld refinement, multiphase, RP = 0.089; wRP = 0.090
  • Sample Detail(s): sample prepared from Ca[NO3]2[H2O]4, P2O5, C2H5OH (ethanol), Zn[NO3]2[H2O]6, inductive coupled plasma method; amounts of β-TCP phase (33.9 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca5Zn0.125[PO4]3O0.25[OH]0.75
  • Alphabetic Formula: Ca5O0.25[OH]0.75[PO4]3Zn0.125
  • Published Formula: Ca10Zn0.25(1)(PO4)6O0.50(2)(OH)1.50(2)
  • Refined Formula: Ca5H0.75O13P3Zn0.13
  • Wyckoff Sequence: 176,ih4feb
  • Z Formula Units: 2
  • Density: ρ = 3.20 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_1632067

  • 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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