Inorganic Solid Phases

Y_1−xCa_xBa₂Cu_3−xCo_xO_7−d, x= 0.36 (Ba₂Ca_0.30Cu_2.70Y_0.70Co_0.30O₇) Crystal Structure

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General Information

Phase Label(s): Ba₂Ca_0.30Cu_2.70Y_0.70Co_0.30O₇
Structure Class(es): high-T_c cuprate family
Classification by Properties: high-T_c superconductor, metal, superconductor
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; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 3T2 (determination of structural parameters), neutrons; λ = 0.12269 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement, wR_P = 0.0587; R_B = 0.0555
Sample Detail(s): sample prepared from Y₂O₃, BaCO₃, CaCO₃, CuO, Co₃O₄, thermogravimetry; O content analyzed, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba₂Ca_0.36Cu_2.64Y_0.64Co_0.36O_7.05
Alphabetic Formula: Ba₂Ca_0.36Co_0.36Cu_2.64O_7.05Y_0.64
Published Formula: Y_1−xCa_xBa₂Cu_3−xCo_xO_7−d, x= 0.36
Refined Formula: Ba₂Ca_0.27Co_0.28Cu_2.72O_7.05Y_0.73
Wyckoff Sequence: 123,ihg²fda
Z Formula Units: 1
Density: ρ = 6.16 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	B₁₁ [nm²]	B₂₂ [nm²]	B₃₃ [nm²]	B₁₂ [nm²]	B₁₃ [nm²]	B₂₃ [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_1624866

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 Y1−xCaxBa2Cu3−xCoxO7−d, x= 0.36 (Ba2Ca0.30Cu2.70Y0.70Co0.30O7) Crystal Structure sd_1624866 (Springer-Verlag GmbH, Heidelberg, © 2016)

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