Inorganic Solid Phases

YBa₂Cu₃O_6.05 (Ba₂Cu₃YO₆, T = 10 K) Crystal Structure

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General Information

Phase Label(s): Ba₂Cu₃YO₆
Structure Class(es): high-T_c cuprate family
Classification by Properties: antiferroelectric AFE, antiferromagnet AFM, diamagnetic, ferr, ferroelectric FE
Mineral Name(s): –
Pearson Symbol: tP14
Space Group: 123
Phase Prototype: Ba₂Cu₃YO_6.3
Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), neutrons (determination of cell parameters), neutrons; λ = 0.1019 nm (determination of structural parameters), T = 10 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, R_P = 0.037; wR_P = 0.049; R_B = 0.054
Sample Detail(s): sample prepared from BaCO₃, Y₂O₃, CuO, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba₂Cu₃YO_6.05
Alphabetic Formula: Ba₂Cu₃O_6.05Y
Published Formula: YBa₂Cu₃O_6.05
Refined Formula: Ba₂Cu₃O_6.06Y
Wyckoff Sequence: 123,ihg²fda
Z Formula Units: 1
Density: ρ = 6.24 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_2042270

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 YBa2Cu3O6.05 (Ba2Cu3YO6, T = 10 K) Crystal Structure sd_2042270 (Springer-Verlag GmbH, Heidelberg, © 2016)

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