Inorganic Solid Phases

La1.5Ca0.5CoO4 (Ca0.5La1.5CoO4 orth) Crystal Structure

General Information

  • Phase Label(s): Ca0.5La1.5CoO4 orth
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM, intermediate valence, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: oS28
  • Space Group: 35
  • Phase Prototype: (Ca0.25La0.75)2CoO4
  • Measurement Detail(s): automatic diffractometer; 22 (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3M reactor, FONDER (determination of structural parameters), neutrons; λ = 0.124 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 25 variables, R = 0.066; wR = 0.071
  • Sample Detail(s): sample prepared from La2O3, CaCO3, CoO, single crystal (determination of cell parameters), single crystal, 0.5 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.5La1.5CoO4
  • Alphabetic Formula: Ca0.5CoLa1.5O4
  • Published Formula: La1.5Ca0.5CoO4
  • Refined Formula: Ca0.50CoLa1.50O4
  • Wyckoff Sequence: 35,e4d2ba
  • Z Formula Units: 4
  • Density: ρ = 6.48 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_1627858

  • 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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