Inorganic Solid Phases

(Yb1−xCax)2Ti2O7, x= 0.1 (Ca0.2Yb1.8Ti2O7) Crystal Structure

General Information

  • Phase Label(s): Ca0.2Yb1.8Ti2O7
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF96
  • Space Group: 227
  • Phase Prototype: Eu2Zr2O7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Russia, Gatchina, Petersburg Nuclear Physics Institute, VVR-M reactor (determination of structural parameters), neutrons; λ = 0.186 nm (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 = 0.242; wRP = 0.156
  • Sample Detail(s): sample prepared from Yb2O3, TiO2 rutile, CaO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.2Yb1.8Ti2O7
  • Alphabetic Formula: Ca0.2O7Ti2Yb1.8
  • Published Formula: (Yb1−xCax)2Ti2O7, x= 0.1
  • Refined Formula: Ca0.20O6.92Ti2Yb1.80
  • Wyckoff Sequence: 227,fdcba
  • Z Formula Units: 8
  • Density: ρ = 6.79 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1628779

  • 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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