Inorganic Solid Phases

CF₃CNSSSAsF₆ ([CF₃]AsCS₃NF₆) Crystal Structure

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General Information

Phase Label(s): [CF₃]AsCS₃NF₆
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP88
Space Group: 33
Phase Prototype: [CF₃]AsCS₃NF₆
Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of structural parameters), T = 291 K (determination of structural parameters)
Phase Class(es): –
Compound Class(es): fluoride, sulfide
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.0552; wR = 0.0619
Sample Detail(s): sample prepared from SO₂, AsF₅, S₈, CF₃CN, chemical analysis; As_6.23C_12.65F_56.27N_6.15S_18.69, single crystal, 0.18×0.22×0.30 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: [CF₃]AsCS₃NF₆
Alphabetic Formula: AsC[CF₃]F₆NS₃
Published Formula: CF₃CNSSSAsF₆
Refined Formula: AsC₂F₉NS₃
Wyckoff Sequence: 33,a²²
Z Formula Units: 4
Density: ρ = 2.41 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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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_1904156

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 CF3CNSSSAsF6 ([CF3]AsCS3NF6) Crystal Structure sd_1904156 (Springer-Verlag GmbH, Heidelberg, © 2016)

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