Inorganic Solid Phases

Cs5.85Na3.15[{Mo3S4(H2O)3}SbW15O53]·14.85H2O (Cs5.85Na3.15W15Mo3SbS4O53[H2O]17.85, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Cs5.85Na3.15W15Mo3SbS4O53[H2O]17.85
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP237
  • Space Group: 2
  • Phase Prototype: Cs5.85Na3.15W15Mo3SbS4O53[H2O]17.85
  • Measurement Detail(s): automatic diffractometer; 9906 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 SMART APEX (determination of 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): oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 998 variables; 17850 reflections; I > 2σ(I), R = 0.0362; wR = 0.0824
  • Sample Detail(s): sample prepared from [Mo3S4[H2O]9]Cl4, Na9[SbW9O33][H2O]19.5, HCl, CsCl, single crystal (determination of cell parameters), single crystal, 0.12×0.25×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs5.85Na3.15W15Mo3SbS4O53[H2O]17.85
  • Alphabetic Formula: Cs5.85[H2O]17.85Mo3Na3.15O53S4SbW15
  • Published Formula: Cs5.85Na3.15[{Mo3S4(H2O)3}SbW15O53]·14.85H2O
  • Refined Formula: Cs5.85H35.70Mo3Na3.15O70.85S4SbW15
  • Wyckoff Sequence: 2,i118f
  • Z Formula Units: 2
  • Density: ρ = 4.51 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_1631309

  • 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