Inorganic Solid Phases

Li2Al2Si3O10 or Li2O·Al2O3·3SiO2 (Li0.5Al0.5Si0.5O2 hex) Crystal Structure

General Information

  • Phase Label(s): Li0.5Al0.5Si0.5O2 hex
  • Structure Class(es):
  • Classification by Properties: superionic conductor
  • Mineral Name(s):
  • Pearson Symbol: hP12
  • Space Group: 180
  • Phase Prototype: Li0.33(Al0.33Si0.67)O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 71 reflections, R = 0.041; wR = 0.067
  • Sample Detail(s): sample prepared from SiO2, Al2O3, Li2O, chemical analysis; 57.94 wt.% SiOα, 32.40 wt.% Al2O3, 9.64 wt.% Li2O, powder (determination of cell parameters), single crystal, 0.2 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Li0.4Al0.4Si0.6O2
  • Alphabetic Formula: Al0.4Li0.4O2Si0.6
  • Published Formula: Li2Al2Si3O10 or Li2O·Al2O3·3SiO2
  • Refined Formula: Al0.40Li0.38O2Si0.60
  • Wyckoff Sequence: 180,jca
  • Z Formula Units: 3
  • Density: ρ = 2.39 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]

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_1415651

  • 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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