Inorganic Solid Phases

ZrO₂-14 mol.% Sc₂O₃ (Sc_0.5Zr_0.5O_1.75 ht) Crystal Structure

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General Information

Phase Label(s): Sc_0.5Zr_0.5O_1.75 ht
Structure Class(es): fluorite family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF12
Space Group: 225
Phase Prototype: CaF₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Brazil, Campinas, Brazilian Synchrotron Light Laboratory, D10B-XPD beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.15495 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, R_P = 0.0844; wR_P = 0.101
Sample Detail(s): sample prepared from ZrO[NO₃]₂[H₂O]₆, Sc[NO₃]₃[H₂O]₄, lysine, amounts of γ-phase (60(1) wt.%), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Sc_0.25Zr_0.75O_1.88
Alphabetic Formula: O_1.88Sc_0.25Zr_0.75
Published Formula: ZrO₂-14 mol.% Sc₂O₃
Refined Formula: O_1.88Sc_0.25Zr_0.75
Wyckoff Sequence: 225,ca
Z Formula Units: 4
Density: ρ = 5.54 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_1932640

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 ZrO2-14 mol.% Sc2O3 (Sc0.5Zr0.5O1.75 ht) Crystal Structure sd_1932640 (Springer-Verlag GmbH, Heidelberg, © 2016)

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