Inorganic Solid Phases

Y_0.73Pr_0.27Ba₂Cu_2.81Al_0.19O_6.64 (Ba₂Cu_2.70Y_0.11Pr_0.89Al_0.30O_6.79) Crystal Structure

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General Information

Phase Label(s): Ba₂Cu_2.70Y_0.11Pr_0.89Al_0.30O_6.79
Structure Class(es): high-T_c cuprate family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: tP14
Space Group: 123
Phase Prototype: Ba₂Cu₃YO_6.3
Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, least-squares refinement on F; 24 variables; 288 reflections; I > 3σ(I), R = 0.084; wR = 0.020
Sample Detail(s): energy-dispersive X-ray analysis; Y_0.639Pr_0.380Ba₂Cu_2.929Al_0.121O_6.138, single crystal (determination of cell parameters), single crystal, 0.03×0.4×0.6 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ba₂Cu_2.81Y_0.73Pr_0.27Al_0.19O_6.64
Alphabetic Formula: Al_0.19Ba₂Cu_2.81O_6.64Pr_0.27Y_0.73
Published Formula: Y_0.73Pr_0.27Ba₂Cu_2.81Al_0.19O_6.64
Refined Formula: Al_0.19Ba₂Cu_2.81O_6.64Pr_0.27Y_0.73
Wyckoff Sequence: 123,ihg²fda
Z Formula Units: 1
Density: ρ = 6.32 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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Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1215031

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 Y0.73Pr0.27Ba2Cu2.81Al0.19O6.64 (Ba2Cu2.70Y0.11Pr0.89Al0.30O6.79) Crystal Structure sd_1215031 (Springer-Verlag GmbH, Heidelberg, © 2016)

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Y0.73Pr0.27Ba2Cu2.81Al0.19O6.64 (Ba2Cu2.70Y0.11Pr0.89Al0.30O6.79) Crystal Structure

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General Information

Substance Summary

Cite this page

Crystallographic Data

Cell Parameters

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Atom Coordinates

Standardized

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Published

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Displacement Parameters

Isotropic

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Anisotropic

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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

Cite this content

Download this citation

Y_0.73Pr_0.27Ba₂Cu_2.81Al_0.19O_6.64 (Ba₂Cu_2.70Y_0.11Pr_0.89Al_0.30O_6.79) Crystal Structure