Inorganic Solid Phases

Y(Ba_1−xSr_x)₂Cu₃Ow, x= 0.5, w≥ 6.90 (BaSrCu₃YO_6.8) Crystal Structure

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General Information

Phase Label(s): BaSrCu₃YO_6.8
Structure Class(es): high-T_c cuprate family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP15
Space Group: 47
Phase Prototype: Ba₂Cu₃DyO_6.9
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement
Sample Detail(s): sample prepared from Y₂O₃, CuO, BaCO₃, SrCO₃, iodometric titration; O content analyzed, BaSrCu₃YO_6.80, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: BaSrCu₃YO_6.8
Alphabetic Formula: BaCu₃O_6.8SrY
Published Formula: Y(Ba_1−xSr_x)₂Cu₃Ow, x= 0.5, w≥ 6.90
Refined Formula: BaCu₃O_6.82SrY
Wyckoff Sequence: 47,tsrq²khba
Z Formula Units: 1
Density: ρ = 6.01 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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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_1935021

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 Y(Ba1−xSrx)2Cu3Ow, x= 0.5, w≥ 6.90 (BaSrCu3YO6.8) Crystal Structure sd_1935021 (Springer-Verlag GmbH, Heidelberg, © 2016)

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