Inorganic Solid Phases

Na4Fe3(PO4)2(P2O7) (Na4Fe3[PO4]2[P2O7], T = 300 K) Crystal Structure

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General Information

  • Phase Label(s): Na4Fe3[PO4]2[P2O7]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP104
  • Space Group: 33
  • Phase Prototype: Na4Co3[PO4]2[P2O7]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; South Korea, Daejeon, Korea Atomic Energy Research Institute, HANARO reactor, HRPD (determination of structural parameters), neutrons; λ = 0.1834333 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, diphosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0192; RB = 0.0198
  • Sample Detail(s): sample prepared from Na4P2O7, FeC2O4[H2O]2, NH4H2PO4, inductive coupled plasma method; Na/Fe ratio 4.04/3; amounts of NaFePO4 (< 4 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na4Fe3[PO4]2[P2O7]
  • Alphabetic Formula: Fe3Na4[PO4]2[P2O7]
  • Published Formula: Na4Fe3(PO4)2(P2O7)
  • Refined Formula: Fe3Na4O15P4
  • Wyckoff Sequence: 33,a26
  • Z Formula Units: 4
  • Density: ρ = 3.29 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_1935883

  • 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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