Inorganic Solid Phases

Cs15[K(SiW11O39)2]·39H2O (Cs15KW22[SiO4]2O70[H2O]39) Crystal Structure

General Information

  • Phase Label(s): Cs15KW22[SiO4]2O70[H2O]39
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP136
  • Space Group: 2
  • Phase Prototype: Cs15KW22[SiO4]2O70[H2O]39
  • 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, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 597 variables; 6702 reflections; F > 4σ(F), R = 0.0735; wR = 0.1625
  • Sample Detail(s): sample prepared from K10A-α-[SiW9O34][H2O]24, CsCl, HCl, chemical analysis; 23.19 wt.% Cs, 0.58 wt.% K, 49.9 wt.% W, 1.11 wt.% Si, single crystal, 0.06×0.10×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs15KW22[SiO4]2O70[H2O]39
  • Alphabetic Formula: Cs15[H2O]39KO70[SiO4]2W22
  • Published Formula: Cs15[K(SiW11O39)2]·39H2O
  • Refined Formula: Cs14H36KO96Si2W22
  • Wyckoff Sequence: 2,i67ba
  • Z Formula Units: 1
  • Density: ρ = 5.38 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_1905043

  • 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