Inorganic Solid Phases

Na54HGaY zeolite, Na54.1H4.3Si133.6Ga58.4O384 (H1.075Na13.525Ga14.6Si33.4O96, T = 623 K) Crystal Structure

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General Information

  • Phase Label(s): H1.075Na13.525Ga14.6Si33.4O96
  • Structure Class(es): zeolite FAU
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF656
  • Space Group: 227
  • Phase Prototype: H5.7Na2Ce2.1(Al0.29Si0.71)48O96
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Scintag PAD-II (determination of structural parameters), X-rays, Cu Kα (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): positions of non-H atoms determined, Rietveld refinement; 33 variables; 238 reflections, RP = 0.0447; wRP = 0.0573; RB = 0.0719
  • Sample Detail(s): sample prepared from zeolite Y-Ga, NaCl, chemical analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H1.075Na13.525Ga14.6Si33.4O96
  • Alphabetic Formula: Ga14.6H1.075Na13.525O96Si33.4
  • Published Formula: Na54HGaY zeolite, Na54.1H4.3Si133.6Ga58.4O384
  • Refined Formula: Ga14.59Na14.32O96Si33.41
  • Wyckoff Sequence: 227,ihg3e2c
  • Z Formula Units: 4
  • Density: ρ = 1.62 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1921031

  • 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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