Inorganic Solid Phases

K3(K0.333,H2O0.667)6Na2(Na0.38,H3O+0.12,H2O0.50)6Fe3+6O2(SO4)12·6H2O (H0.72K5Na4.28Fe6[SO4]12O2[H2O]13.72) Crystal Structure

General Information

  • Phase Label(s): H0.72K5Na4.28Fe6[SO4]12O2[H2O]13.72
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR273
  • Space Group: 148
  • Phase Prototype: K5Na4.28[H3O]0.72Fe6[SO4]12O2[H2O]13
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1607 reflections; I > 2σ(I), R = 0.079
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.20×0.25×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K5Na4.28[H3O]0.72Fe6[SO4]12O2[H2O]13
  • Alphabetic Formula: Fe6[H2O]13[H3O]0.72K5Na4.28O2[SO4]12
  • Published Formula: K3(K0.333,H2O0.667)6Na2(Na0.38,H3O+0.12,H2O0.50)6Fe3+6O2(SO4)12·6H2O
  • Refined Formula: Fe6H28.16K5Na4.28O63.72S12
  • Wyckoff Sequence: 148,f14c3a
  • Z Formula Units: 3
  • Density: ρ = 2.47 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1404952

  • 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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