Inorganic Solid Phases

Cs7Li4K[(SbW9O33)2WO(H2O)(Mo2O2S2)]·40H2O (Cs7KLi4W19Mo2Sb2S2O69[H2O]41) Crystal Structure

General Information

  • Phase Label(s): Cs7KLi4W19Mo2Sb2S2O69[H2O]41
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP464
  • Space Group: 62
  • Phase Prototype: Cs7KLi4W19Mo2Sb2S2O69[H2O]41
  • Measurement Detail(s): automatic diffractometer; 7465 (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, full-matrix least-squares refinement on F2; 322 variables; 4570 reflections; I > 2σ(I), R = 0.0969; wR = 0.2446
  • 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, KCl, chemical analysis; 13.39 wt.% Cs, 0.34 wt.% Li, 0.68 wt.% K, 3.31 wt.% Sb, 54.70 wt.% W, 2.71 wt.% Mo, 0.86 wt.% S, single crystal (determination of cell parameters), single crystal, 0.06×0.20×0.28 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs7KLi4W19Mo2Sb2S2O69[H2O]41
  • Alphabetic Formula: Cs7[H2O]41KLi4Mo2O69S2Sb2W19
  • Published Formula: Cs7Li4K[(SbW9O33)2WO(H2O)(Mo2O2S2)]·40H2O
  • Refined Formula: Cs7H28KMo2O83S2Sb2W19
  • Wyckoff Sequence: 62,d53c10
  • Z Formula Units: 4
  • Density: ρ = 5.39 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_1141333

  • 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