Inorganic Solid Phases

Cs7Li5[(SbW9O33)2(Mo2O2S2)3]·45H2O (Cs7Li5W18Mo6Sb2S6O72[H2O]45) Crystal Structure

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General Information

  • Phase Label(s): Cs7Li5W18Mo6Sb2S6O72[H2O]45
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP264
  • Space Group: 189
  • Phase Prototype: Cs7Li5W18Mo6Sb2S6O72[H2O]45
  • Measurement Detail(s): automatic diffractometer; 9228 (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) 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; absolute structure determined, full-matrix least-squares refinement on F2; 209 variables; 7993 reflections; I > 2σ(I), R = 0.0461; wR = 0.1361
  • Sample Detail(s): sample prepared from K2−x[NMe4]x(I2Mo10O10S10[OH]10[H2O]5)[H2O]20, B-α-Na9[SbW9O33][H2O]19.5, CsCl, LiCl, chemical analysis; 12.77 wt.% Cs, 0.36 wt.% Li, 3.29 wt.% Sb, 45.06 wt.% W, 6.90 wt.% Mo, 2.50 wt.% S, single crystal (determination of cell parameters), single crystal, 0.16×0.16×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs7Li5W18Mo6Sb2S6O72[H2O]45
  • Alphabetic Formula: Cs7[H2O]45Li5Mo6O72S6Sb2W18
  • Published Formula: Cs7Li5[(SbW9O33)2(Mo2O2S2)3]·45H2O
  • Refined Formula: Cs7H19.50Li3Mo6O81.75S6Sb2W18
  • Wyckoff Sequence: 189,l18kj2i3hf2d
  • Z Formula Units: 2
  • Density: ρ = 2.52 Mg·m−3
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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_1141332

  • 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)

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