Inorganic Solid Phases

La1.06Ba0.94NiO4 (BaLaNiO4 lt) Crystal Structure

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General Information

  • Phase Label(s): BaLaNiO4 lt
  • Structure Class(es): Ruddlesden-Popper phase, high-Tc cuprate family
  • Classification by Properties: metal, nonmetal
  • Mineral Name(s): –
  • Pearson Symbol: tI14
  • Space Group: 139
  • Phase Prototype: K2NiF4
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Centre d'Etudes Nucléaires CEN, SILOE reactor, DN5 (determination of structural parameters), neutrons; λ = 0.1348 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0291; wRP = 0.0410
  • Sample Detail(s): sample prepared from La2O3, BaO2, NiO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.94La1.06NiO4
  • Alphabetic Formula: Ba0.94La1.06NiO4
  • Published Formula: La1.06Ba0.94NiO4
  • Refined Formula: Ba0.94La1.06NiO4
  • Wyckoff Sequence: 139,e2ca
  • Z Formula Units: 2
  • Density: ρ = 6.77 Mg·m−3
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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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_0379853

  • 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)

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