Inorganic Solid Phases

LiAlSiO4·D2O (Li4Al4[SiO4]4[D2O]4) Crystal Structure

General Information

  • Phase Label(s): Li4Al4[SiO4]4[D2O]4
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP32
  • Space Group: 33
  • Phase Prototype: Li4Al4[SiO4]4[H2O]4
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor (determination of structural parameters), X-rays, Cu Kα1; λ = 0.15405981 nm (determination of cell parameters), neutrons; λ = 0.1226 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, hydrate-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 40 variables; I > 2σ(I), RP = 0.20
  • Sample Detail(s): sample prepared from zeolite 4A, LiCl, D2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li4Al4[SiO4]4[D2O]4
  • Alphabetic Formula: Al4[D2O]4Li4[SiO4]4
  • Published Formula: LiAlSiO4·D2O
  • Refined Formula: AlD2LiO5Si
  • Wyckoff Sequence: 33,a8
  • Z Formula Units: 1
  • Density: ρ = 2.30 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_1122510

  • 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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