Inorganic Solid Phases

(H3O+0.175H2O0.405)6Na2.16H3O+0.51H2O2.90[K2(K0.38,H2O0.62)6Na2Fe3+6O2(SO4)12·6H2O] (K2.14Na2.08[H3O]0.78Fe3[SO4]6O[H2O]7.525) Crystal Structure

General Information

  • Phase Label(s): K2.14Na2.08[H3O]0.78Fe3[SO4]6O[H2O]7.525
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP112
  • Space Group: 147
  • Phase Prototype: K1.93Na2.65[H3O]0.42Fe3[SO4]6O[H2O]8.54
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (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, R = 0.097
  • Sample Detail(s): sample prepared from K2SO4, Na2[SO4][H2O]10, Fe2[SO4]3[H2O]x, atomic absorption spectroscopy, chemical analysis; Na/K ratio 0.98; Na+K ratio 8.45, single crystal (determination of cell parameters), single crystal, 0.12×0.33×0.33 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2.14Na2.08[H3O]0.78Fe3[SO4]6O[H2O]7.525
  • Alphabetic Formula: Fe3[H2O]7.525[H3O]0.78K2.14Na2.08O[SO4]6
  • Published Formula: (H3O+0.175H2O0.405)6Na2.16H3O+0.51H2O2.90[K2(K0.38,H2O0.62)6Na2Fe3+6O2(SO4)12·6H2O]
  • Refined Formula: Fe3H17.39K2.14Na2.08O33.31S6
  • Wyckoff Sequence: 147,g17d4c
  • Z Formula Units: 2
  • Density: ρ = 2.40 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_1825110

  • 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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