Inorganic Solid Phases

[Se2N2S]2[CF3SO3]2 (Se2[CF3SO3]SN2) Crystal Structure

General Information

  • Phase Label(s): Se2[CF3SO3]SN2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP52
  • Space Group: 14
  • Phase Prototype: [S3N2][CF3SO3]
  • Measurement Detail(s): automatic diffractometer; Siemens R3m/V (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): triflate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 119 variables; 1447 reflections; F > 6σ(F), R = 0.0326; wR = 0.0360
  • Sample Detail(s): sample prepared from Se[NSO]2, HSO3CF3, chemical analysis; C, N and S content analyzed: 3.3 wt.% C, 8.4 wt.% N, 18.5 wt.% S, single crystal, 0.1×0.15×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Se2[CF3SO3]SN2
  • Alphabetic Formula: [CF3SO3]N2SSe2
  • Published Formula: [Se2N2S]2[CF3SO3]2
  • Refined Formula: CF3N2O3S2Se2
  • Wyckoff Sequence: 14,e13
  • Z Formula Units: 4
  • Density: ρ = 2.94 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

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1712661

  • 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)

  • Cite this content

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