Inorganic Solid Phases

LaBa_1.5Ca_0.5Cu₃O_z, z= 7.12 (BaCaCu₃LaO_6.5, T = 523 K) Crystal Structure

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General Information

Phase Label(s): BaCaCu₃LaO_6.5
Structure Class(es): high-T_c cuprate family
Classification by Properties: diamagnetic, high-T_c superconductor, intermediate valence, metal, nonmetal, sem
Mineral Name(s): –
Pearson Symbol: tP14
Space Group: 123
Phase Prototype: Ba₂Cu₃YO_6.3
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 523 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement
Sample Detail(s): sample prepared from La₂O₃, CaCO₃, BaCO₃, CuO, chemical analysis; 7.18 at.% O, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba_1.5Ca_0.5Cu₃LaO_7.12
Alphabetic Formula: Ba_1.5Ca_0.5Cu₃LaO_7.12
Published Formula: LaBa_1.5Ca_0.5Cu₃O_z, z= 7.12
Refined Formula: Ba_1.50Ca_0.50Cu₃LaO_7.12
Wyckoff Sequence: 123,ihg²fda
Z Formula Units: 1
Density: ρ = 6.29 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 B [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_1521284

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 LaBa1.5Ca0.5Cu3Oz, z= 7.12 (BaCaCu3LaO6.5, T = 523 K) Crystal Structure sd_1521284 (Springer-Verlag GmbH, Heidelberg, © 2016)

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