Inorganic Solid Phases

{[Co2+4(H2O)6(C2O4)][W5+(CN)8]2·6H2O}n; C9H12O8N8Co2W (W2Co4[C2O4][CN]16[H2O]12) Crystal Structure

General Information

  • Phase Label(s): W2Co4[C2O4][CN]16[H2O]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP112
  • Space Group: 14
  • Phase Prototype: W2Co4[C2O4][CN]16[H2O]12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, oxalate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 253 variables; 2541 reflections; I > 2σ(I), R = 0.0630; wR = 0.1401
  • Sample Detail(s): sample prepared from Co(CH3COO)2[H2O]4, H2C2O4, Na3(W[CN]8)[H2O]4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: W2Co4[C2O4][CN]16[H2O]12
  • Alphabetic Formula: [CN]16[C2O4]Co4[H2O]12W2
  • Published Formula: {[Co2+4(H2O)6(C2O4)][W5+(CN)8]2·6H2O}n; C9H12O8N8Co2W
  • Refined Formula: C18Co4H24N16O16W2
  • Wyckoff Sequence: 14,e28
  • Z Formula Units: 2
  • Density: ρ = 2.23 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_1722358

  • 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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