Inorganic Solid Phases

(Se₆I)_n·nAsF₆ (AsSe₆IF₆) Crystal Structure

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General Information

Phase Label(s): AsSe₆IF₆
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mP28
Space Group: 13
Phase Prototype: AsSe₆IF₆
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (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): fluoride, iodide
Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.082; wR = 0.103
Sample Detail(s): sample prepared from AsF₅, Se, I₂, chemical analysis; 59.88 wt.% Se, 16.07 wt.% I, 9.60 wt.% As, 14.1 wt.% F, single crystal (determination of cell and structural parameters)

Substance Summary

Standard Formula: AsSe₆IF₆
Alphabetic Formula: AsF₆ISe₆
Published Formula: (Se₆I)_n·nAsF₆
Refined Formula: AsF₆ISe₆
Wyckoff Sequence: 13,g⁶fa
Z Formula Units: 2
Density: ρ = 4.16 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_1000804

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 (Se6I)n·nAsF6 (AsSe6IF6) Crystal Structure sd_1000804 (Springer-Verlag GmbH, Heidelberg, © 2016)

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