Inorganic Solid Phases

Ba₂Bi_xSc_0.2Co_1.8−xO_6−d, x= 0.2, d= 1.38 (Ba₂Sc_0.2Co_1.6Bi_0.2O_4.7 rt) Crystal Structure

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General Information

Phase Label(s): Ba₂Sc_0.2Co_1.6Bi_0.2O_4.7 rt
Structure Class(es): perovskite
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF40
Space Group: 225
Phase Prototype: Ba₂CaWO₆
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1594 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement, R_P = 0.0152; wR_P = 0.0199; R_B = 0.0197
Sample Detail(s): sample prepared from Ba[NO₃]₂, Bi[NO₃]₃[H₂O]₅, Sc[NO₃]₃, Co[NO₃]₃[H₂O]₆, X-ray absorption spectroscopy, X-ray photoelectron spectroscopy; Bi⁵⁺, Co²⁺, Co³⁺ detected, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba₂Sc_0.2Co_1.6Bi_0.2O_4.7
Alphabetic Formula: Ba₂Bi_0.2Co_1.6O_4.7Sc_0.2
Published Formula: Ba₂Bi_xSc_0.2Co_1.8−xO_6−d, x= 0.2, d= 1.38
Refined Formula: Ba₂Bi_0.22Co_1.56O_4.62Sc_0.22
Wyckoff Sequence: 225,ecba
Z Formula Units: 4
Density: ρ = 5.91 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_1605120

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 Ba2BixSc0.2Co1.8−xO6−d, x= 0.2, d= 1.38 (Ba2Sc0.2Co1.6Bi0.2O4.7 rt) Crystal Structure sd_1605120 (Springer-Verlag GmbH, Heidelberg, © 2016)

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