Inorganic Solid Phases

D3.5Cs4.5Al8Si88O192 (D4.25Cs2.25Al6.5Si41.5O96, T = 13(5) K) Crystal Structure

General Information

  • Phase Label(s): D4.25Cs2.25Al6.5Si41.5O96
  • Structure Class(es): zeolite KFI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI348
  • Space Group: 229
  • Phase Prototype: H4.25Cs2.25(Al0.14Si0.86)48O96
  • Measurement Detail(s): automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR (determination of structural parameters), λ = 0.15423(3) nm (determination of structural parameters), T = 13(5) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 34 variables, wRP = 0.075; RB = 0.099
  • Sample Detail(s): sample prepared from H,NH4-ZK5, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: D1.75Cs2.25Al4Si44O96
  • Alphabetic Formula: Al4Cs2.25D1.75O96Si44
  • Published Formula: D3.5Cs4.5Al8Si88O192
  • Refined Formula: Al5.52Cs3.06O96Si43.20
  • Wyckoff Sequence: 229,lk2j2ie
  • Z Formula Units: 2
  • Density: ρ = 1.69 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_1252668

  • 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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