Inorganic Solid Phases

PrBa₂Cu₃O_6.96 (Ba₂Cu₃PrO₇) Crystal Structure

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General Information

Phase Label(s): Ba₂Cu₃PrO₇
Structure Class(es): high-T_c cuprate family
Classification by Properties: antiferromagnet AFM, ferroelectric FE, high-T_c superconductor, intermediate val
Mineral Name(s): –
Pearson Symbol: oP13
Space Group: 47
Phase Prototype: Ba₂Cu₃YO₇
Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, HFBR, H6M (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 Pr₆O₁₁, BaCO₃, CuO, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba₂Cu₃PrO_6.96
Alphabetic Formula: Ba₂Cu₃O_6.96Pr
Published Formula: PrBa₂Cu₃O_6.96
Refined Formula: Ba₂Cu₃O₇Pr
Wyckoff Sequence: 47,tsrq²hea
Z Formula Units: 1
Density: ρ = 6.69 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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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_0558876

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 PrBa2Cu3O6.96 (Ba2Cu3PrO7) Crystal Structure sd_0558876 (Springer-Verlag GmbH, Heidelberg, © 2016)

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