Inorganic Solid Phases

(Ca2.33TR0.16Sr0.51)Ca2(PO4)3(F,OH) (Sr0.5Ca4.5[PO4]3[OH]0.5F0.5) Crystal Structure

General Information

  • Phase Label(s): Sr0.5Ca4.5[PO4]3[OH]0.5F0.5
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): fluorapatite/hydroxylapatite
  • Pearson Symbol: hP42
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3F
  • Measurement Detail(s): rotation and Weissenberg photographs (determination of cell and structural parameters), X-rays, Mo (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement
  • Sample Detail(s): apatite group sample from unknown, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.6Ca4.4[PO4]3[OH]0.5F0.5
  • Alphabetic Formula: Ca4.4F0.5[OH]0.5[PO4]3Sr0.6
  • Published Formula: (Ca2.33TR0.16Sr0.51)Ca2(PO4)3(F,OH)
  • Refined Formula: Ca4.40F0.50H0.50O12.50P3Sr0.60
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 3.41 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1219410

  • 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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