Inorganic Solid Phases

K8[Co4S3(SO)(CN)12]·4H2O (K2CoS[CN]3O0.25[H2O]) Crystal Structure

General Information

  • Phase Label(s): K2CoS[CN]3O0.25[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP96
  • Space Group: 137
  • Phase Prototype: K(K0.5[H2O]0.5)2CoS[CN]3O0.25
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 887 reflections; F > 3.92σ(F), R = 0.059
  • Sample Detail(s): sample prepared from CoSO4[H2O]7, NH3, H2S, KCN, chemical analysis; 15.40 wt.% N, 13.50 wt.% C, 12.60 wt.% S, 0.80 wt.% H, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K2CoS[CN]3O0.25[H2O]
  • Alphabetic Formula: [CN]3Co[H2O]K2O0.25S
  • Published Formula: K8[Co4S3(SO)(CN)12]·4H2O
  • Refined Formula: C3CoH2K2N3O1.25S
  • Wyckoff Sequence: 137,h3g6
  • Z Formula Units: 8
  • Density: ρ = 2.09 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_1920474

  • 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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