Inorganic Solid Phases

Bi₂CuO₄ (CuBi₂O₄, T = 1.5 K) Crystal Structure

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General Information

Phase Label(s): CuBi₂O₄
Structure Class(es): –
Classification by Properties: antiferromagnet AFM, intermediate valence, nonmetal
Mineral Name(s): kusachiite
Pearson Symbol: tP28
Space Group: 130
Phase Prototype: CuBi₂O₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D20 (determination of structural parameters), neutrons; λ = 0.15946 nm (determination of cell and structural parameters), T = 1.5 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; magnetic structure determined; temperature dependence studied, Rietveld refinement; 194 reflections, wR_P = 0.0765; R_B = 0.0259
Sample Detail(s): sample prepared from Bi₂O₃, CuO, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: CuBi₂O₄
Alphabetic Formula: Bi₂CuO₄
Published Formula: Bi₂CuO₄
Refined Formula: Bi₂CuO₄
Wyckoff Sequence: 130,gfc
Z Formula Units: 4
Density: ρ = 8.65 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	β₁₁ [nm²]	β₂₂ [nm²]	β₃₃ [nm²]	β₁₂ [nm²]	β₁₃ [nm²]	β₂₃ [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_1031118

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 Bi2CuO4 (CuBi2O4, T = 1.5 K) Crystal Structure sd_1031118 (Springer-Verlag GmbH, Heidelberg, © 2016)

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