Inorganic Solid Phases

BaCuO_2.07, Ba_0.98CuO_2.07 (Ba₄₄Cu₄₅O₉₀) Crystal Structure

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General Information

Phase Label(s): Ba₄₄Cu₄₅O₉₀
Structure Class(es): –
Classification by Properties: metal, nonmetal
Mineral Name(s): –
Pearson Symbol: cI400
Space Group: 229
Phase Prototype: Ba₄₄Cu₄₅O₉₀
Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement
Sample Detail(s): sample prepared from BaO, CuO, thermogravimetry; BaCuO_2.08(2), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba₄₄Cu₄₅O₉₀
Alphabetic Formula: Ba₄₄Cu₄₅O₉₀
Published Formula: BaCuO_2.07, Ba_0.98CuO_2.07
Refined Formula: Ba₄₄Cu₄₅O_93.10
Wyckoff Sequence: 229,k³j²ih²fe³d
Z Formula Units: 2
Density: ρ = 5.62 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

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_1000624

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 BaCuO2.07, Ba0.98CuO2.07 (Ba44Cu45O90) Crystal Structure sd_1000624 (Springer-Verlag GmbH, Heidelberg, © 2016)

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