Inorganic Solid Phases

Mg0.5[(Mn2+,Zn)Fe3+(TeO3)3]·4.5H2O (Mg0.5Zn0.8Mn0.2Fe[TeO3]3[H2O]4.5) Crystal Structure

General Information

  • Phase Label(s): Mg0.5Zn0.8Mn0.2Fe[TeO3]3[H2O]4.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zemannite
  • Pearson Symbol: hP56
  • Space Group: 176
  • Phase Prototype: Mg0.5(Zn0.5Fe0.5)2[TeO3]3[H2O]4.5
  • Measurement Detail(s): automatic diffractometer; 48 (determination of cell parameters), automatic diffractometer; STOE AED2 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): trioxotellurate(IV), hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 47 variables; 861 reflections; F > 2σ(F), R = 0.030; wR = 0.030
  • Sample Detail(s): kinichilite sample from Japan, Shizuoka Prefecture, Rendaiji, Kawazu, electron microprobe analysis, thermogravimetry; 62.9 wt.% TeO2, 10.4 wt.% Fe2O3, 4.6 wt.% MnO, 5.9 wt.% ZnO, 2.77 wt.% MgO, single crystal (determination of cell parameters), single crystal, 0.070×0.070×0.300 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.5Zn0.55Mn0.45Fe[TeO3]3[H2O]4.5
  • Alphabetic Formula: Fe[H2O]4.5Mg0.5Mn0.45[TeO3]3Zn0.55
  • Published Formula: Mg0.5[(Mn2+,Zn)Fe3+(TeO3)3]·4.5H2O
  • Refined Formula: FeH9Mg0.51Mn0.46O13.50Te3Zn0.54
  • Wyckoff Sequence: 176,i3h2fe
  • Z Formula Units: 2
  • Density: ρ = 4.11 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_1618162

  • 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

    Citation copied