Inorganic Solid Phases

(NH4)11(Li[Co2+4Co3+4(SO3)16(NH3)8]·10H2O (Li[NH4]11Co8[SO3]16[NH3]8[H2O]10, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Li[NH4]11Co8[SO3]16[NH3]8[H2O]10
  • Structure Class(es):
  • Classification by Properties: intermediate valence
  • Mineral Name(s):
  • Pearson Symbol: tI500
  • Space Group: 88
  • Phase Prototype: Li[NH4]11Co8[SO3]16[NH3]8[H2O]10
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfite, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 263 variables; 7169 reflections; I > 2σ(I), R = 0.0490; wR = 0.1466
  • Sample Detail(s): sample prepared from CoCl2[H2O]6, [NH4]6Mo7O24[H2O]4, [NH4]2SO3[H2O], LiCl, chemical analysis; 21.55 wt.% S, 19.94 wt.% Co, 11.52 wt.% N, 3.58 wt.% H, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li[NH4]11Co8[SO3]16[NH3]8[H2O]10
  • Alphabetic Formula: Co8[H2O]10Li[NH3]8[NH4]11[SO3]16
  • Published Formula: (NH4)11(Li[Co2+4Co3+4(SO3)16(NH3)8]·10H2O
  • Refined Formula: Co8H111.42LiN19.36O68.99S16
  • Wyckoff Sequence: 88,f31a
  • Z Formula Units: 4
  • Density: ρ = 1.72 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_1123923

  • 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