Inorganic Solid Phases

Na2.5Fe1.75[SO4]3; Na2+2xFe2−x(SO4)3, x= 0.25 (Na2.5Fe1.75[SO4]3) Crystal Structure

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General Information

  • Phase Label(s): Na2.5Fe1.75[SO4]3
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS88
  • Space Group: 15
  • Phase Prototype: Na2.25(Na0.125Fe0.875)2[SO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Proton Accelerator Research Complex J-PARC, MLF, BL-08, SuperHRPD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, RP = 0.0512; wRP = 0.0334; RB = 0.0146
  • Sample Detail(s): sample prepared from Na2SO4, FeSO4[H2O]7, trace amounts of β-FeSO4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na2.5Fe1.75[SO4]3
  • Alphabetic Formula: Fe1.75[SO4]3Na2.5
  • Published Formula: Na2.5Fe1.75[SO4]3; Na2+2xFe2−x(SO4)3, x= 0.25
  • Refined Formula: Fe1.75Na2.50O12S3
  • Wyckoff Sequence: 15,f10e2
  • Z Formula Units: 4
  • Density: ρ = 3.11 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]

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_1643782

  • 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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