Inorganic Solid Phases

Na2(Mn1−xFex)2Fe3(PO4)3, x= 0.50 (Na2Mn1.5Fe1.5[PO4]3) Crystal Structure

General Information

  • Phase Label(s): Na2Mn1.5Fe1.5[PO4]3
  • Structure Class(es):
  • Classification by Properties: ionic conductor
  • Mineral Name(s): alluaudite
  • Pearson Symbol: mS80
  • Space Group: 15
  • Phase Prototype: Na2Cd(Mn0.5Fe0.5)2[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW3710 (determination of structural parameters), X-rays, Fe Kα; λ = 0.19373 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 54 variables; 500 reflections, RP = 0.0214; wRP = 0.0293; RB = 0.0561
  • Sample Detail(s): alluaudite sample from synthetic, sample prepared from NaH2PO4, FePO4, MnO, FeO, H2O, atomic absorption spectroscopy, chemical analysis, colorimetry; Na2.010Mn0.954Fe2+0.716Fe3+1.278[PO4]3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na2MnFe2[PO4]3
  • Alphabetic Formula: Fe2MnNa2[PO4]3
  • Published Formula: Na2(Mn1−xFex)2Fe3(PO4)3, x= 0.50
  • Refined Formula: Fe1.96MnNa1.74O12P3
  • Wyckoff Sequence: 15,f8e3a
  • Z Formula Units: 4
  • Density: ρ = 3.74 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_1601180

  • 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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