Inorganic Solid Phases

La1.75Sr0.25NiTiO6; La1.752(2)Sr0.248(2)Ni0.952(2)Ti1.048(2)O5.84(3) (Sr0.25La0.75Ti0.5Ni0.5O2.875) Crystal Structure

General Information

  • Phase Label(s): Sr0.25La0.75Ti0.5Ni0.5O2.875
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP20
  • Space Group: 62
  • Phase Prototype: GdFeO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), X-rays, Cu Kα1; λ = 0.15406 nm (determination of cell parameters), neutrons; λ = 0.13893 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, wRP = 0.0711; RB = 0.0352
  • Sample Detail(s): sample prepared from Ni, La2O3, TiO2 rutile, SrCO3, oxygen coefficient 5.93(1) from titration, 5.92(1) from thermogravimetry; amounts of NiO (1 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.125La0.875Ti0.5Ni0.5O2.944
  • Alphabetic Formula: La0.875Ni0.5O2.944Sr0.125Ti0.5
  • Published Formula: La1.75Sr0.25NiTiO6; La1.752(2)Sr0.248(2)Ni0.952(2)Ti1.048(2)O5.84(3)
  • Refined Formula: La0.88Ni0.48O2.92Sr0.12Ti0.52
  • Wyckoff Sequence: 62,dc2a
  • Z Formula Units: 4
  • Density: ρ = 6.44 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_1127861

  • 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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