Inorganic Solid Phases

Mg_0.60Fe_0.40Si_0.63Al_0.37O₃ (Mg_0.60Fe_0.40Al_0.37Si_0.63O₃) Crystal Structure

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General Information

Phase Label(s): Mg_0.60Fe_0.40Al_0.37Si_0.63O₃
Structure Class(es): perovskite
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP20
Space Group: 62
Phase Prototype: GdFeO₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, synchrotron; λ = 0.0415 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters), p = 0.0001 GPa (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): silicate
Interpretation Detail(s): complete structure determined; pressure dependence studied, full-matrix least-squares refinement on F²; 394 reflections; F > 4σ(F), R = 0.0385
Sample Detail(s): sample prepared from Al₂O₃, Fe₂O₃ (hematite), SiO₂, Mg[OH]₂, electron microprobe analysis, Mössbauer spectroscopy; 16.4(3) wt.% Al₂O₃, 26.1(4) wt.% FeO, 33.6(5) wt.% SiO₂, 21.6(3) wt.% MgO; Fe³⁺/ΣFe ratio 0.93(3), single crystal (determination of cell and structural parameters)

Substance Summary

Standard Formula: Mg_0.60Fe_0.40Al_0.37Si_0.63O₃
Alphabetic Formula: Al_0.37Fe_0.40Mg_0.60O₃Si_0.63
Published Formula: Mg_0.60Fe_0.40Si_0.63Al_0.37O₃
Refined Formula: Al_0.37Fe_0.40Mg_0.60O₃Si_0.63
Wyckoff Sequence: 62,dc²a
Z Formula Units: 4
Density: ρ = 4.42 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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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_1606605

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 Mg0.60Fe0.40Si0.63Al0.37O3 (Mg0.60Fe0.40Al0.37Si0.63O3) Crystal Structure sd_1606605 (Springer-Verlag GmbH, Heidelberg, © 2016)

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