Inorganic Solid Phases

Ca1.92Ta1.92Nd0.08Zr0.08O7 (Ca7.68Nd0.32Zr0.32Ta7.68O28) Crystal Structure

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General Information

  • Phase Label(s): Ca7.68Nd0.32Zr0.32Ta7.68O28
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): weberite
  • Pearson Symbol: mS176
  • Space Group: 5
  • Phase Prototype: Ca4(Ca0.92Nd0.08)4(Zr0.0.64Ta0.936)5Ta3O28
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 295 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; 182 variables; 5332 reflections; F > 4σ(F), R = 0.056; wR = 0.15
  • Sample Detail(s): weberite sample from synthetic, energy-dispersive X-ray analysis; 20.3 wt.% CaO, 74.5 wt.% Ta2O5, 1.9 wt.% ZrO2, 2.5 wt.% Nd2O3; amounts of 3T modification, single crystal (determination of cell parameters), single crystal, 0.025×0.05×0.07 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca7.68Nd0.32Zr0.32Ta7.68O28
  • Alphabetic Formula: Ca7.68Nd0.32O28Ta7.68Zr0.32
  • Published Formula: Ca1.92Ta1.92Nd0.08Zr0.08O7
  • Refined Formula: Ca7.68Nd0.32O28Ta7.70Zr0.29
  • Wyckoff Sequence: 5,c42b2a2
  • Z Formula Units: 4
  • Density: ρ = 6.50 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_1412629

  • 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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