Inorganic Solid Phases

[(NH3)3Co·μ(OH,OH,OH)·Co(NH3)3]2(S2O6)3 (Co4[S2O6]3[OH]6[NH3]12) Crystal Structure

General Information

  • Phase Label(s): Co4[S2O6]3[OH]6[NH3]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP92
  • Space Group: 14
  • Phase Prototype: Co4[S2O6]3[OH]6[NH3]12
  • Measurement Detail(s): automatic diffractometer; STOE 4-circle (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, dithionate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1334 reflections; I > 2σ(I), R = 0.052; wR = 0.053
  • Sample Detail(s): sample prepared from [NH3]3Co·μ[OH,OH,OH](Co[NH3]3Br), Na2[S2O6][H2O]2, single crystal, 0.12×0.2×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Co4[S2O6]3[OH]6[NH3]12
  • Alphabetic Formula: Co4[NH3]12[OH]6[S2O6]3
  • Published Formula: [(NH3)3Co·μ(OH,OH,OH)·Co(NH3)3]2(S2O6)3
  • Refined Formula: Co4H42N12O24S6
  • Wyckoff Sequence: 14,e23
  • Z Formula Units: 2
  • Density: ρ = 2.30 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_1712321

  • 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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