Inorganic Solid Phases

Na2(NH4)3[H3Nd6(H2O)26(MoO4){Mo7O22(O2)2}4]·25H2O (H3Na2[NH4]3Nd6Mo28[MoO4]O88[O2]8[H2O]51) Crystal Structure

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General Information

  • Phase Label(s): H3Na2[NH4]3Nd6Mo28[MoO4]O88[O2]8[H2O]51
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS856
  • Space Group: 15
  • Phase Prototype: H3Na2[NH4]3Nd6Mo28[MoO4]O88[O2]8[H2O]51
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): molybdate, peroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 965 variables; 11700 reflections; I > 2σ(I), R = 0.0792; wR = 0.2230
  • Sample Detail(s): sample prepared from [NH4]6Mo7O24[H2O]4, Nd[NO3]3[H2O]n, chemical analysis, inductive coupled plasma method; 2.02 wt.% H, 0.61 wt.% N, 0.62 wt.% Na, 13.27 wt.% Nd, 43.18 wt.% Mo, single crystal (determination of cell parameters), single crystal, 0.17×0.23×0.37 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H3Na2[NH4]3Nd6Mo28[MoO4]O88[O2]8[H2O]51
  • Alphabetic Formula: H3[H2O]51Mo28[MoO4][NH4]3Na2Nd6O88[O2]8
  • Published Formula: Na2(NH4)3[H3Nd6(H2O)26(MoO4){Mo7O22(O2)2}4]·25H2O
  • Refined Formula: H114Mo29N3Na2Nd6O159
  • Wyckoff Sequence: 15,f106e2
  • Z Formula Units: 4
  • Density: ρ = 2.95 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_1234722

  • 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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