Inorganic Solid Phases

[Zn0.435·Fe2+0.094·Fe3+0.470·(OH)2]·(SO4)0.235·1.0H2O (Zn1.3Fe1.7[SO4]0.7[OH]6[H2O]4.4) Crystal Structure

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General Information

  • Phase Label(s): Zn1.3Fe1.7[SO4]0.7[OH]6[H2O]4.4
  • Structure Class(es): –
  • Classification by Properties: ferrimagnet FiM, ferromagnet FM, intermediate valence
  • Mineral Name(s): –
  • Pearson Symbol: hP31
  • Space Group: 162
  • Phase Prototype: Fe3[SO4]0.5[OH]6[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku D/MAX-2000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement
  • Sample Detail(s): sample prepared from NaOH, ZnSO4[H2O]7, FeSO4[H2O]7, Fe2[SO4]3[H2O]7, chemical analysis of dried sample; 19.88 wt.% Zn, 22.46 wt.% Fe, 7.3 wt.% S, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn1.3Fe1.7[SO4]0.7[OH]6[H2O]4.4
  • Alphabetic Formula: Fe1.7[H2O]4.4[OH]6[SO4]0.7Zn1.3
  • Published Formula: [Zn0.435·Fe2+0.094·Fe3+0.470·(OH)2]·(SO4)0.235·1.0H2O
  • Refined Formula: Fe1.62H14.86O13.22S0.70Zn1.29
  • Wyckoff Sequence: 162,lk2e2ca
  • Z Formula Units: 1
  • Density: ρ = 2.51 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_1222329

  • 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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