Inorganic Solid Phases

(Fe3+,Fe2+,Zn)12(OH)6[AsO3]6[AsO3,HOSiO3]2 (H0.25Zn0.9Fe5.1[SiO4]0.25[AsO3]3.75[OH]3) Crystal Structure

General Information

  • Phase Label(s): H0.25Zn0.9Fe5.1[SiO4]0.25[AsO3]3.75[OH]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ekatite
  • Pearson Symbol: hP54
  • Space Group: 186
  • Phase Prototype: H0.25(Zn0.15Fe0.85)6[SiO4]0.25[AsO3]3.75[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenite, hydroxide, orthosilicate
  • Interpretation Detail(s): complete structure determined; absolute structure determined, full-matrix least-squares refinement on F2; 65 variables; 938 reflections; F > 4σ(F), R = 0.043
  • Sample Detail(s): ekatite sample from Namibia, Tsumeb, Tsumeb mine, electron microprobe analysis; 27.26 wt.% Fe2O3, 21.19 wt.% FeO, 3.80 wt.% ZnO, 42.56 wt.% As2O3, 2.12 wt.% SiO2, single crystal (determination of cell parameters), single crystal, 0.10×0.15×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.25Zn0.9Fe5.1[SiO4]0.25[AsO3]3.75[OH]3
  • Alphabetic Formula: [AsO3]3.75Fe5.1H0.25[OH]3[SiO4]0.25Zn0.9
  • Published Formula: (Fe3+,Fe2+,Zn)12(OH)6[AsO3]6[AsO3,HOSiO3]2
  • Refined Formula: As3.77Fe5.07H3.25O15.25Si0.25Zn0.90
  • Wyckoff Sequence: 186,d2c4b3
  • Z Formula Units: 2
  • Density: ρ = 4.09 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1003659

  • 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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