Inorganic Solid Phases

(H3O)Cs2K8Na[AsMo6O15(OH)3(SO4)3]2·12H2O (Cs2K8Na[H3O]Mo12[AsO3]2[SO4]6O24[OH]6[H2O]12) Crystal Structure

General Information

  • Phase Label(s): Cs2K8Na[H3O]Mo12[AsO3]2[SO4]6O24[OH]6[H2O]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS492
  • Space Group: 64
  • Phase Prototype: Cs2K8Na[H3O]Mo12[AsO3]2[SO4]6O24[OH]6[H2O]12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenite, hydroxide, sulfate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 262 variables; 3926 reflections; I > 2σ(I), R = 0.0471; wR = 0.1429
  • Sample Detail(s): sample prepared from Na2MoO4[H2O]2, H2SO4, NaAsO2, KOH, CsCl, chemical analysis; 34.2 wt.% Mo, 14.3 wt.% Cs, 9.1 wt.% K, 5.3 wt.% S, 4.4 wt.% As, 0.8 wt.% Na, single crystal (determination of cell parameters), single crystal, 0.15×0.25×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs2K8Na[H3O]Mo12[AsO3]2[SO4]6O24[OH]6[H2O]12
  • Alphabetic Formula: [AsO3]2Cs2[H2O]12[H3O]K8Mo12NaO24[OH]6[SO4]6
  • Published Formula: (H3O)Cs2K8Na[AsMo6O15(OH)3(SO4)3]2·12H2O
  • Refined Formula: As2Cs2H33K8Mo12NaO73S6
  • Wyckoff Sequence: 64,g25f9edb
  • Z Formula Units: 4
  • Density: ρ = 2.69 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_1123738

  • 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