Inorganic Solid Phases

Na0.97Si1.03Al0.97O4, rt (Na23.28Al23.28Si24.72O96, T = 4.5 K) Crystal Structure

General Information

  • Phase Label(s): Na23.28Al23.28Si24.72O96
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR588
  • Space Group: 167
  • Phase Prototype: Na23.28(Al0.97Si0.03)24Si24O96
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), neutrons; λ = 0.2385 nm (determination of cell and structural parameters), T = 4.5 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 625 reflections, RP = 0.160; wRP = 0.201; RB = 0.116
  • Sample Detail(s): sample prepared from NaA-zeolite, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na23.28Al23.28Si24.72O96
  • Alphabetic Formula: Al23.28Na23.28O96Si24.72
  • Published Formula: Na0.97Si1.03Al0.97O4, rt
  • Refined Formula: Al23.28Na23.24O96Si24.72
  • Wyckoff Sequence: 167,f15e2c
  • Z Formula Units: 3
  • Density: ρ = 1.52 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_1408990

  • 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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