Inorganic Solid Phases

(Fe2+2Fe3+)(SiFe3+)O5[OH]4 (Fe3.7Si1.3O5[OH]4 2H2) Crystal Structure

General Information

  • Phase Label(s): Fe3.7Si1.3O5[OH]4 2H2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cronstedtite 2H2
  • Pearson Symbol: hP28
  • Space Group: 173
  • Phase Prototype: (Mg0.67Al0.33)3(Al0.5Si0.5)2O5[OH]4
  • Measurement Detail(s): automatic diffractometer; 38 (determination of cell parameters), automatic diffractometer; Hilger-Watts (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 50 variables; 381 reflections; I > 3σ(I), R = 0.0383; wR = 0.0258
  • Sample Detail(s): cronstedtite sample from United Kingdom, England, Cornwall, Truro, Wheal Maudlin, electron microprobe analysis; (Fe2+2.291Fe3+0.709)(Si1.289Fe3+0.707Al0.004)O5[OH]4, twinned crystal (determination of cell parameters), twinned crystal, 0.041×0.042×0.216 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe3.7Si1.3O5[OH]4
  • Alphabetic Formula: Fe3.7O5[OH]4Si1.3
  • Published Formula: (Fe2+2Fe3+)(SiFe3+)O5[OH]4
  • Refined Formula: Fe3.56H4O9Si1.44
  • Wyckoff Sequence: 173,c3b3a2
  • Z Formula Units: 2
  • Density: ρ = 3.50 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_1214180

  • 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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