Inorganic Solid Phases

Co6(CO)18C4 (Co3C2[CO]9) Crystal Structure

General Information

  • Phase Label(s): Co3C2[CO]9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP46
  • Space Group: 2
  • Phase Prototype: Co3C2[CO]9
  • Measurement Detail(s): precession photographs (determination of cell parameters), Weissenberg photographs (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell parameters), X-rays, Co Kα (determination of structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, carbide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 209 variables; 1088 reflections, R = 0.047; wR = 0.059
  • Sample Detail(s): sample prepared from ClCCo3[CO]9, mesitylene, chemical analysis; 29.23 wt.% C, 0.18 wt.% H, 39.2 wt.% Co, 54.63 wt.% CO, single crystal (determination of cell parameters), single crystal, 0.1×0.3×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Co3C2[CO]9
  • Alphabetic Formula: C2[CO]9Co3
  • Published Formula: Co6(CO)18C4
  • Refined Formula: C11Co3O9
  • Wyckoff Sequence: 2,i23
  • Z Formula Units: 2
  • Density: ρ = 1.97 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002836

  • 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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