Inorganic Solid Phases

[Co(η2-CO3)(NH3)4](NO3)·0.5H2O (Co2[CO3]2[NO3]2[NH3]8[H2O]) Crystal Structure

General Information

  • Phase Label(s): Co2[CO3]2[NO3]2[NH3]8[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP108
  • Space Group: 14
  • Phase Prototype: Co2[CO3]2[NO3]2[NH3]8[H2O]
  • Measurement Detail(s): automatic diffractometer (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 = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, nitrate, hydrate
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement on F; 245 variables; 2373 reflections; I > 3σ(I), R = 0.039; wR = 0.054
  • Sample Detail(s): sample prepared from Co[NO3]2[H2O]6, [NH4]2CO3, NH4OH, chemical analysis; 4.68 wt.% C, 4.78 wt.% H, 27.39 wt.% N; amounts of (Co[CO3][NH3]5)[NO3] and ([NH3]3Co[μ-OH]2[μ-CO3]Co[NH3]3)[NO3]2[H2O], single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Co2[CO3]2[NO3]2[NH3]8[H2O]
  • Alphabetic Formula: [CO3]2Co2[H2O][NH3]8[NO3]2
  • Published Formula: [Co(η2-CO3)(NH3)4](NO3)·0.5H2O
  • Refined Formula: C2Co2H26N10O13
  • Wyckoff Sequence: 14,e27
  • Z Formula Units: 4
  • Density: ρ = 1.92 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_1925922

  • 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