Inorganic Solid Phases

LiNaFe[PO4]F (NaLiFe[PO4]F, T = 300 K) Crystal Structure

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General Information

  • Phase Label(s): NaLiFe[PO4]F
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP72
  • Space Group: 62
  • Phase Prototype: NaLiCo[PO4]F
  • Measurement Detail(s): automatic diffractometer; Australia, Lucas Heights, Australian Nuclear Science and Technology Organisation, OPAL reactor, ECHIDNA (determination of structural parameters), neutrons; λ = 0.24395 nm (determination of structural parameters), T = 300 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined; magnetic structure determined, Rietveld refinement; 59 variables, RP = 0.0192; wRP = 0.0241; RB = 0.0518
  • Sample Detail(s): sample prepared from NaF, LiFe[PO4], energy-dispersive X-ray analysis; Na/Fe/P ratio 1/1/1; amounts of LiF (3.9 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: NaLiFe[PO4]F
  • Alphabetic Formula: FFeLiNa[PO4]
  • Published Formula: LiNaFe[PO4]F
  • Refined Formula: FFeLiNaO4P
  • Wyckoff Sequence: 62,d3c10ba
  • Z Formula Units: 8
  • Density: ρ = 3.32 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1021713

  • 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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