Inorganic Solid Phases

Na1.5H11.4[ε-ZnMo12O40{Zn}2]·5H2O; O45.6Na1.56Zn3Mo12; Mo-Zn oxide (H11.4Na1.5Zn3Mo12O40[H2O]5) Crystal Structure

General Information

  • Phase Label(s): H11.4Na1.5Zn3Mo12O40[H2O]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF664
  • Space Group: 227
  • Phase Prototype: H11.4Na1.5Zn3Mo12O40[H2O]5
  • 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, Rietveld refinement, RP = 0.0535; wRP = 0.0710
  • Sample Detail(s): sample prepared from Na2MoO4[H2O]2, Mo, ZnCl2, H2SO4, chemical analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H11.4Na1.5Zn3Mo12O40[H2O]5
  • Alphabetic Formula: H11.4[H2O]5Mo12Na1.5O40Zn3
  • Published Formula: Na1.5H11.4[ε-ZnMo12O40{Zn}2]·5H2O; O45.6Na1.56Zn3Mo12; Mo-Zn oxide
  • Refined Formula: H11.28Mo12Na1.56O45.64Zn3
  • Wyckoff Sequence: 227,g6e2ca
  • Z Formula Units: 8
  • Density: ρ = 3.82 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1641618

  • 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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