Inorganic Solid Phases

Ca10−6x−2yNayDy6x+y(P1−xSixO4)6(OH)2, x= 0.036, y= 0.045 (Na0.045Ca9.694Dy0.261[SiO4]0.216[PO4]5.784[OH]2) Crystal Structure

General Information

  • Phase Label(s): Na0.045Ca9.694Dy0.261[SiO4]0.216[PO4]5.784[OH]2
  • 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; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined, 43 variables; 730 reflections; I > 3σ(I), R = 0.025; wR = 0.026
  • Sample Detail(s): apatite group sample from synthetic, sample prepared from Ca4Dy6[SiO4]6O, [OH]-apatite, Na3PO4[H2O]12, electron microprobe analysis; 40.4 wt.% P2O5, 1.0 wt.% SiO2, 53.2 wt.% CaO, 0.11 wt.% Na2O, 3.8 wt.% Dy2O3, 1.73 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.00045 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.022Ca4.847Dy0.131[SiO4]0.108[PO4]2.892[OH]
  • Alphabetic Formula: Ca4.847Dy0.131Na0.022[OH][PO4]2.892[SiO4]0.108
  • Published Formula: Ca10−6x−2yNayDy6x+y(P1−xSixO4)6(OH)2, x= 0.036, y= 0.045
  • Refined Formula: Ca4.88Dy0.11HNa0.02O13P2.89Si0.11
  • Wyckoff Sequence: 176,ih4fe
  • Z Formula Units: 2
  • Density: ρ = 3.25 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_1614163

  • 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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