Inorganic Solid Phases

1.19Li2O·11Al2O3·1.55(4)H2O (Li1.2Al11O17.1[H2O]0.78) Crystal Structure

General Information

  • Phase Label(s): Li1.2Al11O17.1[H2O]0.78
  • Structure Class(es): β-alumina
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP82
  • Space Group: 194
  • Phase Prototype: Li1.2Al11O17.1[H2O]0.8
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer; U.S.A. Tennessee, Oak Ridge National Laboratory ORNL, HFIR (determination of structural parameters), neutrons; λ = 0.10153 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement, R = 0.060
  • Sample Detail(s): sample prepared from alumina, LiNO3, H2O, single crystal (determination of cell parameters), single crystal, 0.46×2.6×3.0 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li1.2Al11O17.1[H2O]0.78
  • Alphabetic Formula: Al11[H2O]0.78Li1.2O17.1
  • Published Formula: 1.19Li2O·11Al2O3·1.55(4)H2O
  • Refined Formula: Al11H1.55LiO17.77
  • Wyckoff Sequence: 194,k4h2f4ea
  • Z Formula Units: 2
  • Density: ρ = 3.20 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1410858

  • 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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