Inorganic Solid Phases

Hg_1−xRe_xBa₂CuO_4+d, x= 0.10, d= 0.42(4) (Ba₂CuHg_0.9Re_0.1O_4.42) Crystal Structure

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General Information

Phase Label(s): Ba₂CuHg_0.9Re_0.1O_4.42
Structure Class(es): high-T_c cuprate family
Classification by Properties: high-T_c superconductor, metal
Mineral Name(s): –
Pearson Symbol: tP9
Space Group: 123
Phase Prototype: Ba₂CuHgO_4.1
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source IPNS, SEPD (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), neutrons, time-of-flight (determination of structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, R_P = 0.032; wR_P = 0.050
Sample Detail(s): sample prepared from Ba₂CuO_3+d, HgO, ReO₃, wavelength-dispersive X-ray spectroscopy; Hg/Re/Ba/Cu ratio 0.76(6)/0.11(2)/2/0.94(7), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba₂CuHg_0.9Re_0.1O_4.42
Alphabetic Formula: Ba₂CuHg_0.9O_4.42Re_0.1
Published Formula: Hg_1−xRe_xBa₂CuO_4+d, x= 0.10, d= 0.42(4)
Refined Formula: Ba₂CuHg_0.86O_4.42Re_0.14
Wyckoff Sequence: 123,jhg²edca
Z Formula Units: 1
Density: ρ = 7.15 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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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_1638457

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 Hg1−xRexBa2CuO4+d, x= 0.10, d= 0.42(4) (Ba2CuHg0.9Re0.1O4.42) Crystal Structure sd_1638457 (Springer-Verlag GmbH, Heidelberg, © 2016)

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