Inorganic Solid Phases

ht-K₂LiAlF₆ (K₂LiAlF₆ ht2) Crystal Structure

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General Information

Phase Label(s): K₂LiAlF₆ ht2
Structure Class(es): perovskite
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: hR60
Space Group: 166
Phase Prototype: Ba₂Ni[TeO₆]
Measurement Detail(s): Weissenberg photographs (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.070942 nm (determination of structural parameters)
Phase Class(es): –
Compound Class(es): fluoride
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 257 reflections, R = 0.054
Sample Detail(s): sample prepared from KF, LiF, AlF₃, single crystal (determination of cell and structural parameters)

Substance Summary

Standard Formula: K₂LiAlF₆
Alphabetic Formula: AlF₆K₂Li
Published Formula: ht-K₂LiAlF₆
Refined Formula: AlF₆K₂Li
Wyckoff Sequence: 166,h²c³ba
Z Formula Units: 6
Density: ρ = 2.98 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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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_1110523

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 ht-K2LiAlF6 (K2LiAlF6 ht2) Crystal Structure sd_1110523 (Springer-Verlag GmbH, Heidelberg, © 2016)

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