Inorganic Solid Phases

Li6.5La3Ta0.5Zr1.5O12 (Li6La3ZrTaO12) Crystal Structure

General Information

  • Phase Label(s): Li6La3ZrTaO12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI208
  • Space Group: 230
  • Phase Prototype: Li5La3Ta2O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Garching, Forschungs-Neutronenquelle Heinz Maier-Leibnitz, FRM II reactor, SPODI (determination of structural parameters), neutrons; λ = 0.14636 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, multiphase, wRP = 0.0922; RB = 0.0393
  • Sample Detail(s): sample prepared from Li2CO3, La2O3, ZrO2, Ta2O5, amounts of Li2CO3 (3.24 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li6.5La3Zr1.5Ta0.5O12
  • Alphabetic Formula: La3Li6.5O12Ta0.5Zr1.5
  • Published Formula: Li6.5La3Ta0.5Zr1.5O12
  • Refined Formula: La3Li6.48O12Ta0.55Zr1.45
  • Wyckoff Sequence: 230,h2dca
  • Z Formula Units: 8
  • Density: ρ = 5.40 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1128831

  • 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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