Inorganic Solid Phases

(Ca2/3Y1/3)2(Ti1/3Nb2/3)2O7 (CaYTiNbO7) Crystal Structure

General Information

  • Phase Label(s): CaYTiNbO7
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF88
  • Space Group: 227
  • Phase Prototype: Ca2Nb2O7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert MPD (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.1181; wRP = 0.1581
  • Sample Detail(s): sample prepared from CaCO3, Y2O3, TiO2 rutile, Nb2O5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca1.333Y0.667Ti0.667Nb1.333O7
  • Alphabetic Formula: Ca1.333Nb1.333O7Ti0.667Y0.667
  • Published Formula: (Ca2/3Y1/3)2(Ti1/3Nb2/3)2O7
  • Refined Formula: Ca1.33Nb1.33O7Ti0.67Y0.67
  • Wyckoff Sequence: 227,fdca
  • Z Formula Units: 8
  • Density: ρ = 4.59 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1819654

  • 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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