Inorganic Solid Phases

(Ca8.91Sr1.09)P5.85O12[F1.88(OH)0.12] (Sr0.2Ca4.8[PO4]3F) Crystal Structure

General Information

  • Phase Label(s): Sr0.2Ca4.8[PO4]3F
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): fluorapatite
  • Pearson Symbol: hP42
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 50 variables; 420 reflections; I > 5σ(I), R = 0.016; wR = 0.022
  • Sample Detail(s): fluorapatite sample from Russia, Kola Peninsula, Lovozero massif, electron microprobe analysis; (Ca8.91Sr1.09)P5.85O12(F1.88[OH]0.12), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.59Ca4.41[PO4]3F
  • Alphabetic Formula: Ca4.41F[PO4]3Sr0.59
  • Published Formula: (Ca8.91Sr1.09)P5.85O12[F1.88(OH)0.12]
  • Refined Formula: Ca4.42FO12P3Sr0.58
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 3.33 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_1014089

  • 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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