Inorganic Solid Phases

H-5223 (H₆Ba₂Ca₂Cu₃O₈[H₂O]₂, T = 90 K) Crystal Structure

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General Information

Phase Label(s): H₆Ba₂Ca₂Cu₃O₈[H₂O]₂
Structure Class(es): high-T_c cuprate family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: tI38
Space Group: 139
Phase Prototype: Ba₂Ca₂Cu₃Tl₂O₁₀
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL (determination of structural parameters), X-rays, synchrotron; λ = 0.069978 nm (determination of cell and structural parameters), T = 90 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide, hydrate
Interpretation Detail(s): complete structure determined, Rietveld refinement, R_P = 0.0850; wR_P = 0.1081
Sample Detail(s): sample prepared from BaCuO_2+d, Ca₂CuO₃, Ba₂Cu₃O_5+d, AgO, infrared spectroscopy, thermogravimetry; H₂O and H⁺ detected; trace amounts of Ag₂O, CuO, BaO₂ and unidentified phase, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: H₆Ba₂Ca₂Cu₃O₈[H₂O]₂
Alphabetic Formula: Ba₂Ca₂Cu₃H₆[H₂O]₂O₈
Published Formula: H-5223
Refined Formula: Ba₂Ca₂Cu₃H₁₀O₁₀
Wyckoff Sequence: 139,ge⁶ca
Z Formula Units: 2
Density: ρ = 4.72 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_1520357

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 H-5223 (H6Ba2Ca2Cu3O8[H2O]2, T = 90 K) Crystal Structure sd_1520357 (Springer-Verlag GmbH, Heidelberg, © 2016)

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