Inorganic Solid Phases

Cs15Na9[(AsW9O33)4(Mo2O2S2(H2O)2)6]·50H2O (Cs15Na9W36Mo12[AsO3]4S12O132[H2O]62) Crystal Structure

General Information

  • Phase Label(s): Cs15Na9W36Mo12[AsO3]4S12O132[H2O]62
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP1032
  • Space Group: 62
  • Phase Prototype: Cs15Na9W36Mo12[AsO3]4S12O132[H2O]62
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenite, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1137 variables; 10686 reflections; I > 2σ(I), R = 0.0873; wR = 0.2175
  • Sample Detail(s): sample prepared from K15[(HAs2W9O34)3(Mo2O2S2[H2O]2)3][H2O]41.5, NaI, I2, NaOH, CsCl, chemical analysis; 2.17 wt.% As, 13.98 wt.% Cs, 8.12 wt.% Mo, 1.66 wt.% Na, 2.91 wt.% S, 46.45 wt.% W, single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs15Na9W36Mo12[AsO3]4S12O132[H2O]62
  • Alphabetic Formula: [AsO3]4Cs15[H2O]62Mo12Na9O132S12W36
  • Published Formula: Cs15Na9[(AsW9O33)4(Mo2O2S2(H2O)2)6]·50H2O
  • Refined Formula: As4Cs10H42Mo12O164S12W36
  • Wyckoff Sequence: 62,d114c30
  • Z Formula Units: 4
  • Density: ρ = 3.75 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_1632438

  • 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