Inorganic Solid Phases

Sr7La3(PO4)3(SiO4)3F2 mechanosynthesis (Sr3.5La1.5[SiO4]1.44[PO4]1.44[CO3]0.12O0.12F0.94) Crystal Structure

General Information

  • Phase Label(s): Sr3.5La1.5[SiO4]1.44[PO4]1.44[CO3]0.12O0.12F0.94
  • 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; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα; λ = 0.15406 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, orthophosphate, orthosilicate, fluoride, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 33 variables, R = 0.0321; RP = 0.0208; wRP = 0.0269; RB = 0.0334
  • Sample Detail(s): sample prepared from SrCO4, La2O3, SiO2, SrF2, Sr2P2O7, chemical analysis; Sr/La/P/Si/F ratio 6.70/2.86/2.98/3.02/0.98, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr3.5La1.5[SiO4]1.44[PO4]1.44[CO3]0.12O0.12F0.94
  • Alphabetic Formula: [CO3]0.12F0.94[PO4]1.44La1.5[SiO4]1.44O0.12Sr3.5
  • Published Formula: Sr7La3(PO4)3(SiO4)3F2 mechanosynthesis
  • Refined Formula: C0.12F0.96La1.42O12P1.44Si1.44Sr3.27
  • Wyckoff Sequence: 176,ih4fe
  • Z Formula Units: 2
  • Density: ρ = 4.53 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_1834321

  • 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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