Inorganic Solid Phases

Nd1−xTiO3, x= 0.071(10) (NdTiO3) Crystal Structure

General Information

  • Phase Label(s): NdTiO3
  • Structure Class(es): perovskite
  • Classification by Properties: antiferromagnet AFM, ferromagnet FM, metal, nonmetal, semiconductor
  • Mineral Name(s):
  • Pearson Symbol: oP20
  • Space Group: 62
  • Phase Prototype: GdFeO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Canada, Ontario, Chalk River Laboratories, NRU reactor, DUALSPEC C2 (determination of structural parameters), neutrons; λ = 0.1329170 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 = 0.0307; wRP = 0.0398; RB = 0.0664
  • Sample Detail(s): sample prepared from Ti2O3, Nd2O3, TiO2 rutile, neutron activation; Nd18.8O60.9Ti20.3; Nd/Ti content analyzed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Nd0.929TiO3
  • Alphabetic Formula: Nd0.929O3Ti
  • Published Formula: Nd1−xTiO3, x= 0.071(10)
  • Refined Formula: Nd0.93O3Ti
  • Wyckoff Sequence: 62,dc2a
  • Z Formula Units: 4
  • Density: ρ = 6.34 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_1522971

  • 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

    Citation copied