Inorganic Solid Phases

Ca7Zr7Ta6O36 (Ca5.25Zr5.25Ta4.5O27) Crystal Structure

General Information

  • Phase Label(s): Ca5.25Zr5.25Ta4.5O27
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oF672
  • Space Group: 70
  • Phase Prototype: Ca(Ca0.85Zr0.15)5(Zr0.5Ta0.5)9O27
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), Photon Factory, BL-14A (determination of structural parameters), X-rays, synchrotron; λ = 0.12682 nm (determination of cell and structural parameters), T = 293 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; 195 variables; 1299 reflections; I > 2σ(I), R = 0.031; wR = 0.034
  • Sample Detail(s): sample prepared from CaO, ZrO2, Ta2O5, single crystal (determination of cell parameters), single crystal, 0.015×0.010×0.006 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca5.25Zr5.25Ta4.5O27
  • Alphabetic Formula: Ca5.25O27Ta4.5Zr5.25
  • Published Formula: Ca7Zr7Ta6O36
  • Refined Formula: Ca5.25O27Ta4.49Zr5.26
  • Wyckoff Sequence: 70,h16g5f5
  • Z Formula Units: 16
  • Density: ρ = 6.19 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_1110707

  • 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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