Inorganic Solid Phases

(Fe2+3−xFe3+x)(Si2−xFe3+x)O5(OH)4, cronstedtite (Fe3.7Si1.3O5[OH]4 1T) Crystal Structure

General Information

  • Phase Label(s): Fe3.7Si1.3O5[OH]4 1T
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cronstedtite 1T
  • Pearson Symbol: hP14
  • Space Group: 157
  • Phase Prototype: Fe3(Fe0.5Si0.5)2O5[OH]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (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): complete structure determined, least-squares refinement; 2104 reflections, R = 0.0301; wR = 0.0371
  • Sample Detail(s): cronstedtite sample from Czech Republic, Pardubice Region, Litosice, single crystal (determination of cell parameters), single crystal, 0.085×0.42×0.46 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe4SiO5[OH]4
  • Alphabetic Formula: Fe4O5[OH]4Si
  • Published Formula: (Fe2+3−xFe3+x)(Si2−xFe3+x)O5(OH)4, cronstedtite
  • Refined Formula: Fe3.52H4O9Si1.48
  • Wyckoff Sequence: 157,c3b2a
  • Z Formula Units: 1
  • Density: ρ = 3.59 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_1213880

  • 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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