Inorganic Solid Phases

(K1.98Na0.01)(Fe2+1.13Mg0.49Mn2+0.27Fe3+0.10Zn0.01)(Mg2.52Fe3+1.49)Fe3+2.00Al1.00(SO4)12.00·18H2O (K2Mg3.08Fe4.92Al[SO4]12[H2O]18) Crystal Structure

General Information

  • Phase Label(s): K2Mg3.08Fe4.92Al[SO4]12[H2O]18
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pertlikite
  • Pearson Symbol: tI904
  • Space Group: 142
  • Phase Prototype: K2(Mg0.5Fe0.5)6Fe2Al[SO4]12[H2O]18
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα (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; 3644 reflections; I > 4σ(I), R = 0.022; wR = 0.0622
  • Sample Detail(s): pertlikite sample from Iran, Madeni Zakh, chemical analysis, Mössbauer spectroscopy; (K1.98Na0.01)(Fe2+1.13Mg0.49Mn2+0.27Fe3+0.10Zn0.01)(Mg2.52Fe3+1.49)Fe3+2.00Al1.00[SO4]12.00[H2O]18, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K2Mg3.08Fe4.92Al[SO4]12[H2O]18
  • Alphabetic Formula: AlFe4.92[H2O]18K2Mg3.08[SO4]12
  • Published Formula: (K1.98Na0.01)(Fe2+1.13Mg0.49Mn2+0.27Fe3+0.10Zn0.01)(Mg2.52Fe3+1.49)Fe3+2.00Al1.00(SO4)12.00·18H2O
  • Refined Formula: AlFe4.47H36.50K2Mg3.53O66.25S12
  • Wyckoff Sequence: 142,g25f2e2dcb
  • Z Formula Units: 8
  • Density: ρ = 2.56 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1217652

  • 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

    Citation copied