Inorganic Solid Phases

Na1.5(H3O)0.5Fe10ZnO17·0.3H2O (Na1.5[H3O]0.5ZnFe10O17[H2O]0.3) Crystal Structure

General Information

  • Phase Label(s): Na1.5[H3O]0.5ZnFe10O17[H2O]0.3
  • Structure Class(es): β"-alumina
  • Classification by Properties: antiferromagnet AFM, ferromagnet FM
  • Mineral Name(s):
  • Pearson Symbol: hR150
  • Space Group: 166
  • Phase Prototype: Na1.5[H3O]0.5(Zn0.5Fe0.5)2Fe9O17[H2O]0.3
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.037; wR = 0.046
  • Sample Detail(s): sample prepared from Fe2O3 (hematite), Na2O, ZnO, H2O, single crystal (determination of cell parameters), single crystal, 0.08×0.15×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.5[H3O]0.5ZnFe10O17[H2O]0.3
  • Alphabetic Formula: Fe10[H2O]0.3[H3O]0.5Na1.5O17Zn
  • Published Formula: Na1.5(H3O)0.5Fe10ZnO17·0.3H2O
  • Refined Formula: Fe10.10H2.04Na1.61O18.01Zn0.90
  • Wyckoff Sequence: 166,h6ec5b
  • Z Formula Units: 3
  • Density: ρ = 4.31 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
U [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_1408133

  • 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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