Inorganic Solid Phases

"Li7La3Zr2O12" (Li7La3Zr2O12 ht) Crystal Structure

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General Information

  • Phase Label(s): Li7La3Zr2O12 ht
  • Structure Class(es): garnet family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cI256
  • Space Group: 230
  • Phase Prototype: Li5La3Sb2O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 638 reflections; F > 4σ(F), R = 0.028; wR = 0.0511
  • Sample Detail(s): sample prepared from ZrO2, La2O3, Li2CO3, energy-dispersive X-ray analysis, inductive coupled plasma method; 56.86(80) wt.% La2O3, 28.89(50) wt.% ZrO2, 1.36(20) wt.% Al2O3; 60.3(4) wt.% La2O3, 27.3(3) wt.% ZrO2, 1.16(23) wt.% Al2O3, 11.2(4) wt.% Li2O, single crystal (determination of cell parameters), single crystal, 0.06 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Li7La3Zr2O12
  • Alphabetic Formula: La3Li7O12Zr2
  • Published Formula: "Li7La3Zr2O12"
  • Refined Formula: La3Li4.47O12Zr2
  • Wyckoff Sequence: 230,h2dca
  • Z Formula Units: 8
  • Density: ρ = 5.11 Mg·m−3
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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_1632948

  • 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)

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