Inorganic Solid Phases

Tl_0.5Pb_0.5Sr_1.6Ba_0.4CaCu₂O₇ (Ba_0.204Sr_1.78Ca_0.909Cu₂Tl_0.607Pb_0.5O₇) Crystal Structure

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General Information

Phase Label(s): Ba_0.204Sr_1.78Ca_0.909Cu₂Tl_0.607Pb_0.5O₇
Structure Class(es): high-T_c cuprate family
Classification by Properties: metal, superconductor
Mineral Name(s): –
Pearson Symbol: tP16
Space Group: 123
Phase Prototype: Ba₂(Ca_0.87Tl_0.13)Cu₂TlO₇
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1820 (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, multiphase, wR_P = 0.0388; R_B = 0.0455
Sample Detail(s): sample prepared from Ca, Sr, Ba and Cu containing precursor, PbO, Tl₂O₃, nominal composition Tl_0.5Pb_0.5Sr_1.6Ba_0.4CaCu₂O₇; amounts of 1223 phase, (Ca,Sr)₂CuO₃ and (Ca,Sr)CuO₂ (9, 0.9 and 1.7 wt.%), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba_0.404Sr_1.55Ca_0.939Cu₂Tl_0.607Pb_0.5O₇
Alphabetic Formula: Ba_0.404Ca_0.939Cu₂O₇Pb_0.5Sr_1.55Tl_0.607
Published Formula: Tl_0.5Pb_0.5Sr_1.6Ba_0.4CaCu₂O₇
Refined Formula: Ba_0.40Ca_0.94Cu₂O₇Pb_0.50Sr_1.55Tl_0.61
Wyckoff Sequence: 123,nih²gba
Z Formula Units: 1
Density: ρ = 6.55 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_1009699

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 Tl0.5Pb0.5Sr1.6Ba0.4CaCu2O7 (Ba0.204Sr1.78Ca0.909Cu2Tl0.607Pb0.5O7) Crystal Structure sd_1009699 (Springer-Verlag GmbH, Heidelberg, © 2016)

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