Inorganic Solid Phases

[(NH2)2CSSC(NH2)2]2[OsBr6]Br2·3H2O ([C2S2N4H8]2OsBr8[H2O]3) Crystal Structure

General Information

  • Phase Label(s): [C2S2N4H8]2OsBr8[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS112
  • Space Group: 63
  • Phase Prototype: [C2S2N4H8]2ReCl8[H2O]3
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement on F2; 76 variables; 1022 reflections; I > 2σ(I), R = 0.0228; wR = 0.0538
  • Sample Detail(s): sample prepared from K2OsBr6, [CSN2H4], HBr, electron microprobe analysis, spectroscopy; 15.8 wt.% Os, 51.8 wt.% Br, S wt.% 11.0, single crystal (determination of cell parameters), single crystal, 0.15×0.20×0.28 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [C2S2N4H8]2OsBr8[H2O]3
  • Alphabetic Formula: Br8[C2S2N4H8]2[H2O]3Os
  • Published Formula: [(NH2)2CSSC(NH2)2]2[OsBr6]Br2·3H2O
  • Refined Formula: Br8C4H22N8O3OsS4
  • Wyckoff Sequence: 63,h4g2f3c2
  • Z Formula Units: 4
  • Density: ρ = 2.82 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1603219

  • 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

    Citation copied