Inorganic Solid Phases

(NH4)2.8H0.9[ε-V5+1.0Mo5+2.3Mo6+7.1V4+1.8V5+0.8O40Bi3+2]·7.2H2O; Bi2Mo9.4V3.6N2.8O47.2H26.5 (H0.9[NH4]2.8V3.6Mo9.4Bi2O40[H2O]7.2, T = 100(2) K) Crystal Structure

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General Information

  • Phase Label(s): H0.9[NH4]2.8V3.6Mo9.4Bi2O40[H2O]7.2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF520
  • Space Group: 227
  • Phase Prototype: H0.9[NH4]2.8V(V0.22Mo0.78)12Bi2O40[H2O]7.2
  • Measurement Detail(s): automatic diffractometer; 3748 (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL40XU (determination of structural parameters), X-rays, synchrotron; λ = 0.083077 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; 42 variables; 315 reflections; I > 2σ(I), R = 0.0580; wR = 0.1460
  • Sample Detail(s): sample prepared from [NH4]6Mo7O24[H2O]4, VOSO4[H2O]5, Bi[OH]3, chemical analysis; 18.45 wt.% Bi, 38.41 wt.% Mo, 7.51 wt.% V, 1.66 wt.% N, 0.97 wt.% H, single crystal (determination of cell parameters), single crystal, 0.0024×0.0032×0.0039 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.9[NH4]2.8V3.6Mo9.4Bi2O40[H2O]7.2
  • Alphabetic Formula: Bi2H0.9[H2O]7.2Mo9.4[NH4]2.8O40V3.6
  • Published Formula: (NH4)2.8H0.9[ε-V5+1.0Mo5+2.3Mo6+7.1V4+1.8V5+0.8O40Bi3+2]·7.2H2O; Bi2Mo9.4V3.6N2.8O47.2H26.5
  • Refined Formula: Bi2H14.04Mo9.36O47.02V3.64
  • Wyckoff Sequence: 227,g4fe2ca
  • Z Formula Units: 8
  • Density: ρ = 4.06 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_1639087

  • 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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