Inorganic Solid Phases

(NH4)1.8H10[Zn3Mo11.9V0.1O40]·6.5H2O; Mo-Zn-V0.01-O (H10[NH4]1.8Zn2.7V0.7Mo11.6O40[H2O]6.5) Crystal Structure

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General Information

  • Phase Label(s): H10[NH4]1.8Zn2.7V0.7Mo11.6O40[H2O]6.5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF568
  • Space Group: 227
  • Phase Prototype: H7.5[NH4]2.1Mo12Mn2.2O40[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RINT-2200 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement, RP = 0.0554; wRP = 0.0727
  • Sample Detail(s): sample prepared from [NH4]6Mo7O24[H2O]4, NH4VO3, Mo, ZnCl2, energy-dispersive X-ray analysis; 1.19 wt.% N, 52.90 wt.% Mo, 9.16 wt.% Zn, 0.27(2) wt.% V, 1.41 wt.% H, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H10[NH4]1.8Zn3V0.1Mo11.9O40[H2O]6.5
  • Alphabetic Formula: H10[H2O]6.5Mo11.9[NH4]1.8O40V0.1Zn3
  • Published Formula: (NH4)1.8H10[Zn3Mo11.9V0.1O40]·6.5H2O; Mo-Zn-V0.01-O
  • Refined Formula: Mo12O52.04Zn3
  • Wyckoff Sequence: 227,g5e2ca
  • Z Formula Units: 8
  • Density: ρ = 3.93 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1144928

  • 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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