Inorganic Solid Phases

La_1.5Ca_0.5CoO₄ (Ca_0.5La_1.5CoO₄ orth) Crystal Structure

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General Information

Phase Label(s): Ca_0.5La_1.5CoO₄ orth
Structure Class(es): –
Classification by Properties: antiferromagnet AFM, intermediate valence, nonmetal
Mineral Name(s): –
Pearson Symbol: oS28
Space Group: 35
Phase Prototype: (Ca_0.25La_0.75)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: Ca_0.5La_1.5CoO₄
Alphabetic Formula: Ca_0.5CoLa_1.5O₄
Published Formula: La_1.5Ca_0.5CoO₄
Refined Formula: Ca_0.50CoLa_1.50O₄
Wyckoff Sequence: 35,e⁴d²ba
Z Formula Units: 4
Density: ρ = 6.48 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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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.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
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Experimental Details

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Reference

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3D Interactive Structure

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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.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials La1.5Ca0.5CoO4 (Ca0.5La1.5CoO4 orth) Crystal Structure sd_1627858 (Springer-Verlag GmbH, Heidelberg, © 2016)

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