Inorganic Solid Phases

K(H2O)Fe(H1.5AsO4)2(H2AsO4) (H5KFe[AsO4]3[H2O]) Crystal Structure

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General Information

  • Phase Label(s): H5KFe[AsO4]3[H2O]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP38
  • Space Group: 13
  • Phase Prototype: H5KFe[AsO4]3[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 99 variables; 1652 reflections; I > 2σ(I), R = 0.031; wR = 0.083
  • Sample Detail(s): sample prepared from K2CO3, Fe2O3 (hematite), H5As3O10, H2O, amounts of KFe3[AsO4]2[HAsO4]2 (5 vol.%), single crystal (determination of cell parameters), single crystal, 0.02×0.03×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H5KFe[AsO4]3[H2O]
  • Alphabetic Formula: [AsO4]3FeH5[H2O]K
  • Published Formula: K(H2O)Fe(H1.5AsO4)2(H2AsO4)
  • Refined Formula: As3FeH7KO13
  • Wyckoff Sequence: 13,g8fe2
  • Z Formula Units: 2
  • Density: ρ = 3.15 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

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624268

  • 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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