Inorganic Solid Phases

FeCl2·2H2O (FeCl2[H2O]2) Crystal Structure

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General Information

  • Phase Label(s): FeCl2[H2O]2
  • Structure Class(es): –
  • Classification by Properties: antiferromagnet AFM, ferromagnet FM, nonmetal
  • Mineral Name(s): rokühnite
  • Pearson Symbol: mS10
  • Space Group: 12
  • Phase Prototype: CoCl2[H2O]2
  • Measurement Detail(s): automatic diffractometer; Germany, Karlsruhe Forschungszentrum, FR2 reactor (determination of structural parameters), neutrons; λ = 0.09505 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): chloride, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 349 reflections, R = 0.079; wR = 0.20
  • Sample Detail(s): powder, 1.1×1.1×7.0 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: FeCl2[H2O]2
  • Alphabetic Formula: Cl2Fe[H2O]2
  • Published Formula: FeCl2·2H2O
  • Refined Formula: Cl2FeH4O2
  • Wyckoff Sequence: 12,iga
  • Z Formula Units: 2
  • Density: ρ = 2.39 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1814684

  • 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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