Inorganic Solid Phases

(Mg,Fe)2Al4Si5O18·nH2O (Mg1.4Fe0.6Al4Si5O18[H2O]0.6, T = 648 K) Crystal Structure

General Information

  • Phase Label(s): Mg1.4Fe0.6Al4Si5O18[H2O]0.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cordierite low
  • Pearson Symbol: oS116
  • Space Group: 66
  • Phase Prototype: (Mg0.85Fe0.15)2Al4Si5O18
  • Measurement Detail(s): automatic diffractometer; 28 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 648 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, 716 reflections, R = 0.061; wR = 0.063
  • Sample Detail(s): sekaninaite sample from Czech Republic, Vysocina Region, Dolni Bory, sample prepared from cordierite, chemical analysis; Na0.15Ca0.05Mn0.08Mg0.25Fe1.65Si4.91Al4.05O18[H2O]0.61, single crystal (determination of cell parameters), single crystal, 0.27×0.33×0.33 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.3Fe1.7Al4Si5O18[H2O]0.6
  • Alphabetic Formula: Al4Fe1.7[H2O]0.6Mg0.3O18Si5
  • Published Formula: (Mg,Fe)2Al4Si5O18·nH2O
  • Refined Formula: Al4Fe1.70Mg0.30O18Si5
  • Wyckoff Sequence: 66,m3l6kha
  • Z Formula Units: 4
  • Density: ρ = 2.72 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615867

  • 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