Inorganic Solid Phases

Ca1−xNdxHfTi2−xAlxO7, x= 0.2 (Ca0.8Nd0.2HfTi1.8Al0.2O7) Crystal Structure

General Information

  • Phase Label(s): Ca0.8Nd0.2HfTi1.8Al0.2O7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS92
  • Space Group: 15
  • Phase Prototype: CaZrTi2O7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα1; λ = 0.15406 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, RB = 0.0530
  • Sample Detail(s): sample prepared from CaCO3, HfO2, TiO2 rutile, Al2O3, Nd2O3, electron microprobe analysis; Ca0.797Nd0.198Hf0.998Ti1.80Al0.194O7, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.8Nd0.2HfTi1.8Al0.2O7
  • Alphabetic Formula: Al0.2Ca0.8HfNd0.2O7Ti1.8
  • Published Formula: Ca1−xNdxHfTi2−xAlxO7, x= 0.2
  • Refined Formula: Al0.20Ca0.80HfNd0.20O7Ti1.80
  • Wyckoff Sequence: 15,f11e
  • Z Formula Units: 8
  • Density: ρ = 5.83 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_1931294

  • 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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