Inorganic Solid Phases

NaPb9(PO4)6F(H2O)0.33 (Na0.5Pb4.5[PO4]3F0.5[H2O]0.16) Crystal Structure

General Information

  • Phase Label(s): Na0.5Pb4.5[PO4]3F0.5[H2O]0.16
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP46
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3Br
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Co Kα; λ = 0.178901 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 20 variables, RP = 0.155; wRP = 0.119; RB = 0.066
  • Sample Detail(s): sample prepared from HNa2[PO4], H[NH4]2[PO4], Pb(CH3COO)2[H2O]3, [NH4]F, H2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.5Pb4.5[PO4]3F0.5[H2O]0.16
  • Alphabetic Formula: F0.5[H2O]0.16Na0.5[PO4]3Pb4.5
  • Published Formula: NaPb9(PO4)6F(H2O)0.33
  • Refined Formula: F0.45H0.34Na0.51O12.17P3Pb4.49
  • Wyckoff Sequence: 176,ih4feb
  • Z Formula Units: 2
  • Density: ρ = 6.86 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_1602938

  • 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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