Inorganic Solid Phases

D5.3Cs0.7Al6Si42O96 (D2.65Cs0.35Al3Si21O48 cub1, T = 623 K) Crystal Structure

General Information

  • Phase Label(s): D2.65Cs0.35Al3Si21O48 cub1
  • Structure Class(es): zeolite RHO
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI144
  • Space Group: 229
  • Phase Prototype: H6(Al0.25Si0.75)24O48
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, SEPD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 623 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 30 variables; 251 reflections, RP = 0.024; wRP = 0.037; RB = 0.094
  • Sample Detail(s): zeolite group sample from synthetic, sample prepared from [NH4]10.6Cs0.7Al11.3Si36.7O96[H2O]43, infrared spectroscopy, MAS spectroscopy, NMR spectroscopy; no D2O detected by infrared spectroscopy; no H detected by 1H NMR; Si/Al 7.0 ratio detected, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: D2.65Cs0.35Al3Si21O48
  • Alphabetic Formula: Al3Cs0.35D2.65O48Si21
  • Published Formula: D5.3Cs0.7Al6Si42O96
  • Refined Formula: Al5.76Cs0.85D4.20O50.45Si21
  • Wyckoff Sequence: 229,k3jie
  • Z Formula Units: 2
  • Density: ρ = 1.45 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_1600261

  • 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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