Inorganic Solid Phases

Na0.248(H2O)0.715(Mn0.028Li0.053Fe0.249Mg1.670)[Fe0.038Be0.155Al3.819Si4.988O18] (Na0.27Li0.10Mg1.32Be0.17Mn0.02Fe0.59Al3.74Si5.05O18[H2O]0.73) Crystal Structure

General Information

  • Phase Label(s): Na0.27Li0.10Mg1.32Be0.17Mn0.02Fe0.59Al3.74Si5.05O18[H2O]0.73
  • 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 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini R Ultra (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (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; 87 variables, R = 0.0239; wR = 0.0644
  • Sample Detail(s): cordierite sample from Russia, Urals, Murzinka, atomic absorption spectroscopy, electron microprobe analysis; Na0.248[H2O]0.715(Mn0.028Li0.053Fe0.249Mg1.670)[Fe0.038Be0.155Al3.819Si4.988O18], single crystal (determination of cell parameters), single crystal, 0.08×0.13×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.25Li0.053Mg1.67Be0.155Mn0.028Fe0.287Al3.819Si4.99O18[H2O]0.715
  • Alphabetic Formula: Al3.819Be0.155Fe0.287[H2O]0.715Li0.053Mg1.67Mn0.028Na0.25O18Si4.99
  • Published Formula: Na0.248(H2O)0.715(Mn0.028Li0.053Fe0.249Mg1.670)[Fe0.038Be0.155Al3.819Si4.988O18]
  • Refined Formula: Al3.80Be0.16Fe0.30H1.29Li0.06Mg1.66Mn0.02Na0.23O18.65Si5
  • Wyckoff Sequence: 66,m3l6khcba
  • Z Formula Units: 4
  • Density: ρ = 2.63 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_1225295

  • 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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