Inorganic Solid Phases

(NH4)0.9K1.9H0.9[ε-VMo9.4V2.6O40Bi2]·6.1H2O (H0.9K1.9[NH4]0.9V3.60Mo9.40Bi2O40[H2O]6.1, T = 100(2) K) Crystal Structure

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General Information

  • Phase Label(s): H0.9K1.9[NH4]0.9V3.60Mo9.40Bi2O40[H2O]6.1
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF528
  • Space Group: 227
  • Phase Prototype: H0.9K1.9[NH4]0.9V(V0.22Mo0.78)12Bi2O40[H2O]6.1
  • Measurement Detail(s): automatic diffractometer; 10887 (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL40XU (determination of structural parameters), X-rays, synchrotron; λ = 0.083112 nm (determination of cell and structural parameters), T = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 45 variables; 291 reflections; I > 2σ(I), R = 0.0344; wR = 0.0616
  • Sample Detail(s): sample prepared from Mo9.40V3.60Bi2O40[H2O]7.05, KCl, single crystal (determination of cell parameters), single crystal, 0.003×0.003×0.004 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.9K1.9[NH4]0.9V3.60Mo9.40Bi2O40[H2O]6.1
  • Alphabetic Formula: Bi2H0.9[H2O]6.1K1.9Mo9.40[NH4]0.9O40V3.60
  • Published Formula: (NH4)0.9K1.9H0.9[ε-VMo9.4V2.6O40Bi2]·6.1H2O
  • Refined Formula: Bi2H9.92K1.78Mo9.36O44.96V3.64
  • Wyckoff Sequence: 227,g4fe2cba
  • Z Formula Units: 8
  • Density: ρ = 4.08 Mg·m−3
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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_1639088

  • 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)

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