Inorganic Solid Phases

[(NH3)3Co(μ-OH)2(μ-CO3)Co(NH3)3]SO4·5H2O (Co2[CO3][SO4][OH]2[NH3]6[H2O]5) Crystal Structure

General Information

  • Phase Label(s): Co2[CO3][SO4][OH]2[NH3]6[H2O]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP48
  • Space Group: 2
  • Phase Prototype: Co2[CO3][SO4][OH]2[NH3]6[H2O]5
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα; λ = 0.0710730 nm (determination of cell and structural parameters), T = 296 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 2258 reflections; F > 0σ(F), R = 0.029; wR = 0.027
  • Sample Detail(s): sample prepared from CoSO4, [NH4]2CO3, O2, chemical analysis; C1.72Co3.64H55.61N11.13O26.02S1.88, single crystal (determination of cell parameters), single crystal, 0.22×0.27 mm2 (determination of structural parameters)

Substance Summary

  • Standard Formula: Co2[CO3][SO4][OH]2[NH3]6[H2O]5
  • Alphabetic Formula: [CO3]Co2[H2O]5[NH3]6[OH]2[SO4]
  • Published Formula: [(NH3)3Co(μ-OH)2(μ-CO3)Co(NH3)3]SO4·5H2O
  • Refined Formula: CCo2H30N6O14S
  • Wyckoff Sequence: 2,i24
  • Z Formula Units: 2
  • Density: ρ = 1.93 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_1903982

  • 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