Inorganic Solid Phases

(Mg0.53Fe0.29Li0.18)2Al4Si5O18(Na0.36)(H2O)0.85 (Na0.36Li0.36Mg1.06Fe0.58Al4Si5O18[H2O]0.85) Crystal Structure

General Information

  • Phase Label(s): Na0.36Li0.36Mg1.06Fe0.58Al4Si5O18[H2O]0.85
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cordierite low
  • Pearson Symbol: oS124
  • Space Group: 66
  • Phase Prototype: (Mg0.9Fe0.1)2Al2(Al0.67Si0.33)3Si4O18[H2O]0.9
  • Measurement Detail(s): automatic diffractometer; 22 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1133 reflections; F > 6σ(F), R = 0.019; wR = 0.027
  • Sample Detail(s): cordierite sample from U.S.A. Maine, single crystal (determination of cell parameters), single crystal, 0.00030 mm (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.36Li0.36Mg1.06Fe0.58Al4Si5O18[H2O]0.85
  • Alphabetic Formula: Al4Fe0.58[H2O]0.85Li0.36Mg1.06Na0.36O18Si5
  • Published Formula: (Mg0.53Fe0.29Li0.18)2Al4Si5O18(Na0.36)(H2O)0.85
  • Refined Formula: Al4Fe0.58H1.70Li0.36Mg1.06Na0.36O18.85Si5
  • Wyckoff Sequence: 66,m3l6khcba
  • Z Formula Units: 4
  • 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
B [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_2080160

  • 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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