Inorganic Solid Phases

PrBa_2−zCa_zCu₃O_7+d, z= 0.20 (BaCaCu₃PrO₇ orth) Crystal Structure

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General Information

Phase Label(s): BaCaCu₃PrO₇ orth
Structure Class(es): high-T_c cuprate family
Classification by Properties: antiferromagnet AFM, intermediate valence, semiconductor, superconductor
Mineral Name(s): –
Pearson Symbol: oP14
Space Group: 47
Phase Prototype: Ba₂Cu₃YO₇
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku D/MAX-2500 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wR_P = 0.0689
Sample Detail(s): sample prepared from Pr₆O₁₁, CuO, BaCO₃, CaCO₃, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba_1.8Ca_0.2Cu₃PrO_7.224
Alphabetic Formula: Ba_1.8Ca_0.2Cu₃O_7.224Pr
Published Formula: PrBa_2−zCa_zCu₃O_7+d, z= 0.20
Refined Formula: Ba_1.80Ca_0.20Cu₃O_7.22Pr
Wyckoff Sequence: 47,tsrq²heba
Z Formula Units: 1
Density: ρ = 6.62 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_1820744

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 PrBa2−zCazCu3O7+d, z= 0.20 (BaCaCu3PrO7 orth) Crystal Structure sd_1820744 (Springer-Verlag GmbH, Heidelberg, © 2016)

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