Inorganic Solid Phases

Cd4.00Na0.01K0.01Ca0.09[Al8.70Si27.30O71.75·nH2O], n= 27(2) (Cd2Al4.35Si13.65O36[H2O]13, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Cd2Al4.35Si13.65O36[H2O]13
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS180
  • Space Group: 8
  • Phase Prototype: Cd2.175(Al0.26Si0.74)16O36[H2O]12.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 415 variables; 3504 reflections; F > 4σ(F), R = 0.0388; wR = 0.1067
  • Sample Detail(s): sample prepared from Cd4.00Na0.01K0.01Ca0.09[Al8.70Si27.30O71.75][H2O]x, H2O, single crystal (determination of cell parameters), single crystal, 0.11×0.14×0.45 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cd2.175Al4.35Si13.65O36[H2O]13.5
  • Alphabetic Formula: Al4.35Cd2.175[H2O]13.5O36Si13.65
  • Published Formula: Cd4.00Na0.01K0.01Ca0.09[Al8.70Si27.30O71.75·nH2O], n= 27(2)
  • Refined Formula: Al4.36Cd2.07H26.92O49.46Si13.64
  • Wyckoff Sequence: 8,b37a18
  • Z Formula Units: 2
  • Density: ρ = 2.45 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_1923586

  • 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

    Citation copied