Inorganic Solid Phases

H8K{[Ni(H2O)5]2(H2Mo1.80W10.20O42)}Cl3·16H2O (H10KW10.2Mo1.8Ni2Cl3O42[H2O]26) Crystal Structure

General Information

  • Phase Label(s): H10KW10.2Mo1.8Ni2Cl3O42[H2O]26
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS344
  • Space Group: 15
  • Phase Prototype: H10KW10.2Mo1.8Ni2Cl3O42[H2O]26
  • Measurement Detail(s): automatic diffractometer (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 = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 391 variables; 4180 reflections; I > 2σ(I), R = 0.0579; wR = 0.1623
  • Sample Detail(s): sample prepared from Na2WO4[H2O]2, [NH4]6Mo7O24[H2O]4, Al2[SO4]3[H2O]18, NiCl2[H2O]4, CH3COOK, HCl, chemical analysis; 1.83 wt.% H, 3.19 wt.% Cl, 1.16 wt.% K, 5.11 wt.% Mo, 3.47 wt.% Ni, 54.22 wt.% W, single crystal (determination of cell parameters), single crystal, 0.08×0.08×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H10KW10.2Mo1.8Ni2Cl3O42[H2O]26
  • Alphabetic Formula: Cl3H10[H2O]26KMo1.8Ni2O42W10.2
  • Published Formula: H8K{[Ni(H2O)5]2(H2Mo1.80W10.20O42)}Cl3·16H2O
  • Refined Formula: Cl3H52KMo1.80Ni2O68W10.20
  • Wyckoff Sequence: 15,f42e2
  • Z Formula Units: 4
  • Density: ρ = 3.98 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_1229857

  • 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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