Inorganic Solid Phases

La₂₄Al₁₂I₂₁ (La₈Al₄I₇) Crystal Structure

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General Information

Phase Label(s): La₈Al₄I₇
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mS114
Space Group: 12
Phase Prototype: La₈Al₄I₇
Measurement Detail(s): automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293(2) K (determination of structural parameters)
Phase Class(es): –
Compound Class(es): iodide
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F²; 174 variables; I > 2σ(I), R = 0.0682; wR = 0.1351
Sample Detail(s): sample prepared from La, LaI₃, Al, energy-dispersive X-ray analysis; La/Al/I ratio 43/20/37; amounts of La₁₀Al₅I₈ (10 wt.%), La₃Al₂I₂ and La₂Al₂I, single crystal, 0.08×0.10×0.25 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: La₈Al₄I₇
Alphabetic Formula: Al₄I₇La₈
Published Formula: La₂₄Al₁₂I₂₁
Refined Formula: Al₄I₇La₈
Wyckoff Sequence: 12,i²⁸d
Z Formula Units: 6
Density: ρ = 5.53 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 U [nm²]	Type	Computed B_eq [nm²]
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Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1711655

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 La24Al12I21 (La8Al4I7) Crystal Structure sd_1711655 (Springer-Verlag GmbH, Heidelberg, © 2016)

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