Inorganic Solid Phases

PrBaCuFeO_5+y, y= 0.49 (BaCuPrFeO_5.5) Crystal Structure

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General Information

Phase Label(s): BaCuPrFeO_5.5
Structure Class(es): high-T_c cuprate family
Classification by Properties: semiconductor
Mineral Name(s): –
Pearson Symbol: tP10
Space Group: 123
Phase Prototype: Ba(Cu_0.5Fe_0.5)₂PrO_5.5
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor, E2 (determination of structural parameters), neutrons; λ = 0.1221 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): average structure determined, Rietveld refinement, R_P = 0.0421; wR_P = 0.0539; R_B = 0.0625
Sample Detail(s): sample prepared from BaCO₃, CuO, Fe₂O₃ (hematite), Pr₆O₁₁, thermogravimetry; oxygen coefficient 5.47(2), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: BaCuPrFeO_5.5
Alphabetic Formula: BaCuFeO_5.5Pr
Published Formula: PrBaCuFeO_5+y, y= 0.49
Refined Formula: BaCuFeO_5.49Pr
Wyckoff Sequence: 123,igdcba
Z Formula Units: 1
Density: ρ = 6.76 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_1522438

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 PrBaCuFeO5+y, y= 0.49 (BaCuPrFeO5.5) Crystal Structure sd_1522438 (Springer-Verlag GmbH, Heidelberg, © 2016)

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