Inorganic Solid Phases

Na21[Mo6+126Mo5+28O462H14(H2O)54(H2PO2)7]·xH2O, x ≈ 300 (H14Na21Mo154[PH2O2]7O462[H2O]354, T = 183(2) K) Crystal Structure

General Information

  • Phase Label(s): H14Na21Mo154[PH2O2]7O462[H2O]354
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS3952
  • Space Group: 64
  • Phase Prototype: H14Na21Mo154[PH2O2]7O462[H2O]354
  • Measurement Detail(s): automatic diffractometer; 8192 (determination of cell parameters), Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 183(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphinate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1898 variables; 25500 reflections; I > 2σ(I), R = 0.0735; wR = 0.1783
  • Sample Detail(s): sample prepared from Na2MoO4[H2O]2, NaCl, H2O, hypophosphorous acid, chemical analysis, thermogravimetry; 1.64 wt.% Na, 28 wt.% Mo5+, 0.65 wt.% P, 18.5 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.15×0.30×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H14Na21Mo154[PH2O2]7O462[H2O]354
  • Alphabetic Formula: H14[H2O]354Mo154Na21O462[PH2O2]7
  • Published Formula: Na21[Mo6+126Mo5+28O462H14(H2O)54(H2PO2)7]·xH2O, x ≈ 300
  • Refined Formula: H512Mo154Na4O752P7
  • Wyckoff Sequence: 64,g237f18ed
  • Z Formula Units: 4
  • Density: ρ = 2.30 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_1023743

  • 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

    Citation copied