Inorganic Solid Phases

Ba5.05Sr4.95(PO4)6F2 (Ba2.5Sr2.5[PO4]3F) Crystal Structure

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General Information

  • Phase Label(s): Ba2.5Sr2.5[PO4]3F
  • 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 and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 29 variables, RP = 0.036; wRP = 0.047
  • Sample Detail(s): sample prepared from Ba(CH3CO2)2, Sr[NO3]2, NH4F, [NH4]2HPO4, chemical analysis; composition confirmed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2.52Sr2.48[PO4]3F
  • Alphabetic Formula: Ba2.52F[PO4]3Sr2.48
  • Published Formula: Ba5.05Sr4.95(PO4)6F2
  • Refined Formula: Ba2.53FO12P3Sr2.47
  • Wyckoff Sequence: 176,ih4fe
  • Z Formula Units: 2
  • Density: ρ = 4.50 Mg·m−3
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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_1320501

  • 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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