Inorganic Solid Phases

La3Ga5.25Ta0.25Zr0.5O14 (La3Zr0.5Ta0.25Ga5.25O14, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): La3Zr0.5Ta0.25Ga5.25O14
  • Structure Class(es): langasite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP23
  • Space Group: 150
  • Phase Prototype: La3Ga4(Ga0.5Si0.5)2O14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; India, Trombay-Mumbai, Bhabha Atomic Research Centre BARC, DHRUVA reactor (determination of structural parameters), neutrons; λ = 0.099500 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 43 variables; 341 reflections; I > 2σ(I), R = 0.027; wR = 0.069
  • Sample Detail(s): sample prepared from La2O3, Ga2O3, Ta2O5, single crystal (determination of cell parameters), single crystal, 3×3×3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: La3Zr0.5Ta0.25Ga5.25O14
  • Alphabetic Formula: Ga5.25La3O14Ta0.25Zr0.5
  • Published Formula: La3Ga5.25Ta0.25Zr0.5O14
  • Refined Formula: Ga5.46La3O14Ta0.03Zr0.51
  • Wyckoff Sequence: 150,g2fed2a
  • Z Formula Units: 1
  • Density: ρ = 6.01 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1126115

  • 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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