Inorganic Solid Phases

K10[(AsOH)6(MoO3)2(O2Mo-O-MoO2)2(AsMo9O33)2]·12H2O (K5Mo12As4O41[OH]3[H2O]6) Crystal Structure

General Information

  • Phase Label(s): K5Mo12As4O41[OH]3[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP169
  • Space Group: 2
  • Phase Prototype: K5Mo12As3[AsO3]O38[OH]3[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens R3m/V (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 648 variables; 6614 reflections; F > 4σ(F), R = 0.067; wR = 0.068
  • Sample Detail(s): sample prepared from K2MoO3[H2O]5, As2O3, KSCN, N2H6SO4, H2SO4, chemical analysis; Mo5+ content analyzed, single crystal (determination of cell parameters), single crystal, 0.15×0.25×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K5Mo12As3[AsO3]O38[OH]3[H2O]6
  • Alphabetic Formula: As3[AsO3][H2O]6K5Mo12O38[OH]3
  • Published Formula: K10[(AsOH)6(MoO3)2(O2Mo-O-MoO2)2(AsMo9O33)2]·12H2O
  • Refined Formula: As4H15K4.90Mo12O50
  • Wyckoff Sequence: 2,i84g
  • Z Formula Units: 2
  • Density: ρ = 3.32 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_1902019

  • 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