Inorganic Solid Phases

K2(Fe0.8Mg0.2)5Fe3+3Al(SO4)12·18H2O (K2Mg4Fe4Al[SO4]12[H2O]18, T = 120 K) Crystal Structure

General Information

  • Phase Label(s): K2Mg4Fe4Al[SO4]12[H2O]18
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF1808
  • Space Group: 228
  • Phase Prototype: K2Fe8Al[SO4]12[H2O]18
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 120 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement on F2; 99 variables; 963 reflections, R = 0.0238; wR = 0.0534
  • Sample Detail(s): sample prepared from K2SO4, Fe2[SO4]3[H2O]6, Al2[SO4]3[H2O]17, FeSO4[H2O]7, MgSO4[H2O]7, chemical analysis; K2.561Al0.969Fe2+4.171Fe3+3.062Mg0.500Zn0.001[SO4]12, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K2MgFe7Al[SO4]12[H2O]18
  • Alphabetic Formula: Al[H2O]18Fe7[SO4]12K2Mg
  • Published Formula: K2(Fe0.8Mg0.2)5Fe3+3Al(SO4)12·18H2O
  • Refined Formula: AlFe7.02H36K2Mg0.98O66S12
  • Wyckoff Sequence: 228,h8gfcba
  • Z Formula Units: 16
  • Density: ρ = 2.65 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_1237898

  • 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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