Inorganic Solid Phases

Co(OH)1.4(NCO)0.6·0.6H2O 2H1 (Co[OCN]0.6[OH]1.4[H2O]0.6 hex) Crystal Structure

General Information

  • Phase Label(s): Co[OCN]0.6[OH]1.4[H2O]0.6 hex
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP18
  • Space Group: 194
  • Phase Prototype: Co[OCN]0.6[OH]1.4[H2O]0.6
  • Measurement Detail(s): X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): (iso)cyanate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0160; wRP = 0.0211
  • Sample Detail(s): sample prepared from CoCl2[H2O]6, CON2H4, mannitol, chemical analysis; 49.9 wt.% Co, 6.56 wt.% N, 5.75 wt.% C, 2.22 wt.% H, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Co[OCN]0.6[OH]1.4[H2O]0.6
  • Alphabetic Formula: Co[H2O]0.6[OCN]0.6[OH]1.4
  • Published Formula: Co(OH)1.4(NCO)0.6·0.6H2O 2H1
  • Refined Formula: C0.60CoH2.60N0.60O2.60
  • Wyckoff Sequence: 194,f4a
  • Z Formula Units: 2
  • Density: ρ = 2.81 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1123887

  • 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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