Inorganic Solid Phases

{Zn[S(NSO)2]2}(AsF6)2·2SO2 (ZnAs2S2[NSO]4F12[SO2]2) Crystal Structure

General Information

  • Phase Label(s): ZnAs2S2[NSO]4F12[SO2]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP62
  • Space Group: 14
  • Phase Prototype: ZnAs2S2[NSO]4F12[SO2]2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfinylamide, fluoride, sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 2600 reflections; I > 3σ(I), R = 0.051; wR = 0.059
  • Sample Detail(s): sample prepared from Zn[SO4]2[AsF6]2, S[NSO]2, chemical analysis; 27.1 wt.% F, 27.9 wt.% S, 6.7 wt.% N, single crystal (determination of cell parameters), single crystal, 0.30×0.35×0.55 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: ZnAs2S2[NSO]4F12[SO2]2
  • Alphabetic Formula: As2F12[NSO]4S2[SO2]2Zn
  • Published Formula: {Zn[S(NSO)2]2}(AsF6)2·2SO2
  • Refined Formula: As2F4N4O8S8Zn
  • Wyckoff Sequence: 14,e15a
  • Z Formula Units: 2
  • Density: ρ = 2.46 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1904026

  • 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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