Inorganic Solid Phases

(CF3SO2NS2)4 ([CF3SO2]S2N) Crystal Structure

General Information

  • Phase Label(s): [CF3SO2]S2N
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS160
  • Space Group: 15
  • Phase Prototype: [CF3SO2]S2N
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 713 reflections; I > 1.96σ(I), R = 0.038; wR = 0.036
  • Sample Detail(s): sample prepared from [CF3SO2]2(CH3)6Sn2N2S2, S2Cl2, chemical analysis; 5.5 wt.% C, 26.9 wt.% F, 6.7 wt.% N, 44.7 wt.% S, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [CF3SO2]S2N
  • Alphabetic Formula: [CF3SO2]NS2
  • Published Formula: (CF3SO2NS2)4
  • Refined Formula: CF3NO2S3
  • Wyckoff Sequence: 15,f20
  • Z Formula Units: 16
  • Density: ρ = 2.10 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
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.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1935123

  • 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.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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