Inorganic Solid Phases

SrBaCo₂O₅ (Ba_0.5Sr_0.5CoO_2.5, T = 300 K) Crystal Structure

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General Information

Phase Label(s): Ba_0.5Sr_0.5CoO_2.5
Structure Class(es): perovskite
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cP5
Space Group: 221
Phase Prototype: CaTiO₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1594 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, R_P = 0.0216; wR_P = 0.0329; R_B = 0.0329
Sample Detail(s): sample prepared from SrCO₃, Co₃O₄, BaCO₃, energy-dispersive X-ray analysis, inductive coupled plasma method; BaSrCo₂O_5.00(5), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba_0.5Sr_0.5CoO_2.5
Alphabetic Formula: Ba_0.5CoO_2.5Sr_0.5
Published Formula: SrBaCo₂O₅
Refined Formula: Ba_0.50CoO_2.50Sr_0.50
Wyckoff Sequence: 221,dba
Z Formula Units: 1
Density: ρ = 5.55 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_1628409

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 SrBaCo2O5 (Ba0.5Sr0.5CoO2.5, T = 300 K) Crystal Structure sd_1628409 (Springer-Verlag GmbH, Heidelberg, © 2016)

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