Inorganic Solid Phases

Os6(CO)174-S)2 (Os6S2[CO]17) Crystal Structure

General Information

  • Phase Label(s): Os6S2[CO]17
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP168
  • Space Group: 19
  • Phase Prototype: Os6S2[CO]17
  • 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 = 297(3) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1726 reflections; F2 > 2σ(F2), R = 0.037; wR = 0.030
  • Sample Detail(s): sample prepared from Os3[CO]10(NCMe)2, Os3[CO]93-S)2, single crystal (determination of cell parameters), single crystal, 0.05×0.126×0.208 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Os6S2[CO]17
  • Alphabetic Formula: [CO]17Os6S2
  • Published Formula: Os6(CO)174-S)2
  • Refined Formula: C17O17Os6S2
  • Wyckoff Sequence: 19,a42
  • Z Formula Units: 4
  • Density: ρ = 3.84 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
B [nm2]
Type
Computed
Beq [nm2]

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_1907631

  • 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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