Inorganic Solid Phases

Mg_0.915Al_0.085B₂ (Mg_0.5Al_0.5B₂) Crystal Structure

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General Information

Phase Label(s): Mg_0.5Al_0.5B₂
Structure Class(es): AlB₂ family
Classification by Properties: diamagnetic, metal, superconductor
Mineral Name(s): –
Pearson Symbol: hP3
Space Group: 191
Phase Prototype: AlB₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): boride
Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement on F²; 7 variables; 30 reflections, R = 0.0280; wR = 0.0662
Sample Detail(s): energy-dispersive X-ray analysis; Al content analyzed, single crystal (determination of cell parameters), single crystal, 0.07×0.17×0.33 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Mg_0.915Al_0.085B₂
Alphabetic Formula: Al_0.085B₂Mg_0.915
Published Formula: Mg_0.915Al_0.085B₂
Refined Formula: Al_0.08B₂Mg_0.90
Wyckoff Sequence: 191,da
Z Formula Units: 1
Density: ρ = 2.68 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

Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	2U₁₂ [nm²]	2U₁₃ [nm²]	2U₂₃ [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_1814423

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 Mg0.915Al0.085B2 (Mg0.5Al0.5B2) Crystal Structure sd_1814423 (Springer-Verlag GmbH, Heidelberg, © 2016)

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