Inorganic Solid Phases

Rb5.5Na9.5[{HAs2W9O34}3{Mo2O2S2(H2O)2}3]·19.5H2O (H3Rb5.5Na9.5W27Mo6[AsO3]6S6O90[H2O]25.5) Crystal Structure

General Information

  • Phase Label(s): H3Rb5.5Na9.5W27Mo6[AsO3]6S6O90[H2O]25.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP840
  • Space Group: 62
  • Phase Prototype: H3Rb5.5Na9.5W27Mo6[AsO3]6S6O90[H2O]25.5
  • 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 = 296 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; 903 variables; 7993 reflections; I > 2σ(I), R = 0.0593; wR = 0.1425
  • Sample Detail(s): sample prepared from K2−x[NMe4]x(I2Mo10O10S10[OH]10[H2O]5)[H2O]20, K7[HAs2W8O31][H2O]12, NaCl, chemical analysis, single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H3Rb5.5Na9.5W27Mo6[AsO3]6S6O90[H2O]25.5
  • Alphabetic Formula: [AsO3]6H3[H2O]25.5Mo6Na9.5O90Rb5.5S6W27
  • Published Formula: Rb5.5Na9.5[{HAs2W9O34}3{Mo2O2S2(H2O)2}3]·19.5H2O
  • Refined Formula: As6H62Mo6O139.01Rb5.50S6W27
  • Wyckoff Sequence: 62,d96c18
  • Z Formula Units: 4
  • Density: ρ = 3.57 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_1632440

  • 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

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