Inorganic Solid Phases

(Na4.58K0.02)(Ca0.18Mg0.03Ba0.01Fe0.05Sr0.01)(Si91.35Al4.48)O192·28.39H2O (H0.2Na6.7Al6.9Si89.1O192) Crystal Structure

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General Information

  • Phase Label(s): H0.2Na6.7Al6.9Si89.1O192
  • Structure Class(es): zeolite MFI
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP316
  • Space Group: 62
  • Phase Prototype: H0.2Na6.7(Al0.07Si0.93)96O192
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL, BM01A (determination of structural parameters), X-rays, synchrotron; λ = 0.070026 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, Rietveld refinement; 136 variables, RP = 0.02; wRP = 0.02
  • Sample Detail(s): sample prepared from NaOH, NaAlO2, silica Zeosil 175 MP, electron microprobe analysis, thermogravimetry; Na4.58K0.02Ca0.18Mg0.03Ba0.01Fe0.05Sr0.01Si91.35Al4.48O192[H2O]28.39, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na4.5Al4.5Si91.5O192[H2O]28.4
  • Alphabetic Formula: Al4.5[H2O]28.4Na4.5O192Si91.5
  • Published Formula: (Na4.58K0.02)(Ca0.18Mg0.03Ba0.01Fe0.05Sr0.01)(Si91.35Al4.48)O192·28.39H2O
  • Refined Formula: Al4.51H84.96O234.48Si91.49
  • Wyckoff Sequence: 62,d40c10
  • Z Formula Units: 1
  • Density: ρ = 1.97 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1127988

  • 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)

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