Inorganic Solid Phases

K10.75[Co(H2O)6]0.5[Co(H2O)4Cl]0.25A-α-[K2{Co(H2O)2}3(SiW9O34)2]·32H2O (K12.75W18Co3.75[SiO4]2Cl0.25O60[H2O]42) Crystal Structure

General Information

  • Phase Label(s): K12.75W18Co3.75[SiO4]2Cl0.25O60[H2O]42
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP550
  • Space Group: 2
  • Phase Prototype: K12.75W18Co3.75[SiO4]2Cl0.25O60[H2O]42
  • Measurement Detail(s): automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 296 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, chloride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1456 variables; 19962 reflections; F > 4σ(F), R = 0.0697; wR = 0.1122
  • Sample Detail(s): sample prepared from K10A-α-[SiW9O34][H2O]24, CoCl2, chemical analysis; 3.24 wt.% Co, 8.55 wt.% K, 55.47 wt.% W, 1.22 wt.% Si, single crystal, 0.02×0.04×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K12.75W18Co3.75[SiO4]2Cl0.25O60[H2O]42
  • Alphabetic Formula: Cl0.25Co3.75[H2O]42K12.75O60[SiO4]2W18
  • Published Formula: K10.75[Co(H2O)6]0.5[Co(H2O)4Cl]0.25A-α-[K2{Co(H2O)2}3(SiW9O34)2]·32H2O
  • Refined Formula: Cl0.25Co3.75H35K12.50O94.75Si2W18
  • Wyckoff Sequence: 2,i275
  • Z Formula Units: 4
  • Density: ρ = 4.50 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_1905042

  • 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