Inorganic Solid Phases

zeolite, Na0.25Nd0.25X, Si/Al = 1.37 (Na5Nd5Al20.25Si27.75O96[H2O]19.9) Crystal Structure

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General Information

  • Phase Label(s): Na5Nd5Al20.25Si27.75O96[H2O]19.9
  • Structure Class(es): zeolite FAU
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF1160
  • Space Group: 227
  • Phase Prototype: Na5Nd5(Al0.42Si0.58)48O96[H2O]20.8
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 328 reflections, R = 0.069
  • Sample Detail(s): zeolite group sample from synthetic, sample prepared from zeolite, NdCl3, Si/Al ratio 1.37, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na5Nd5Al20.25Si27.75O96[H2O]19.9
  • Alphabetic Formula: Al20.25[H2O]19.9Na5Nd5O96Si27.75
  • Published Formula: zeolite, Na0.25Nd0.25X, Si/Al = 1.37
  • Refined Formula: Al20.16H57.84Na5.04Nd5.04O124.92Si27.84
  • Wyckoff Sequence: 227,i2hg5fe4da
  • Z Formula Units: 4
  • Density: ρ = 1.74 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1405214

  • 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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