Inorganic Solid Phases

(Na2.5Bi2.5)(PO4)3(F,OH) (Na2.5Bi2.5[PO4]3[OH]0.9F0.1, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): Na2.5Bi2.5[PO4]3[OH]0.9F0.1
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP42
  • Space Group: 173
  • Phase Prototype: (Sr0.6Ca0.4)5[PO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini S Ultra (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 173 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 41 variables; 608 reflections; I > 2σ(I), R = 0.065; wR = 0.115
  • Sample Detail(s): sample prepared from Bi2O3, NaBF4, Na2B4O7[H2O]10, NaH2PO4[H2O]2, inductive coupled plasma method; 58.3 wt.% Bi, 9.95 wt.% P, 6.13 wt.% Na, single crystal (determination of cell parameters), single crystal, 0.025×0.025×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.5Bi2.5[PO4]3[OH]0.9F0.1
  • Alphabetic Formula: Bi2.5F0.1Na2.5[OH]0.9[PO4]3
  • Published Formula: (Na2.5Bi2.5)(PO4)3(F,OH)
  • Refined Formula: Bi2.50F0.10H0.90Na2.50O12.90P3
  • Wyckoff Sequence: 173,c6b2a
  • Z Formula Units: 2
  • Density: ρ = 5.39 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1824425

  • 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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