Inorganic Solid Phases

Na21.0H1.4Al22.4Si73.6O192 (Na11.2Al11.2Si36.8O96 KFI, T = 523 K) Crystal Structure

General Information

  • Phase Label(s): Na11.2Al11.2Si36.8O96 KFI
  • Structure Class(es): zeolite KFI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI324
  • Space Group: 229
  • Phase Prototype: Na11.2(Al0.23Si0.77)48O96
  • Measurement Detail(s): automatic diffractometer (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 523 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 31 variables; 213 reflections, RP = 0.0675; wRP = 0.1133; RB = 0.0559
  • Sample Detail(s): zeolite group sample from synthetic, sample prepared from KKFI, Si/Al ratio 3.29 from NMR MAS spectroscopy; absence of water confirmed by thermogravimetry, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na11.18Al11.18Si36.82O96
  • Alphabetic Formula: Al11.18Na11.18O96Si36.82
  • Published Formula: Na21.0H1.4Al22.4Si73.6O192
  • Refined Formula: Al11.18Na11.06O96Si36.82
  • Wyckoff Sequence: 229,lk2jifdc
  • Z Formula Units: 2
  • Density: ρ = 1.60 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1252654

  • 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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