Inorganic Solid Phases

Na2[NbF5(O2)]·2H2O (Na2Nb[O2]F5[H2O]2) Crystal Structure

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General Information

  • Phase Label(s): Na2Nb[O2]F5[H2O]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oS56
  • Space Group: 41
  • Phase Prototype: Na2Nb[O2]F5[H2O]2
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): peroxide, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 708 reflections; I > 3σ(I), R = 0.035
  • Sample Detail(s): sample prepared from NaF, Nb2O5, HF, atomic absorption spectroscopy, permanganometric titration, thermogravimetry; 16.2 wt.% Na, 12.1 wt.% H2O, 10.6 wt.% [O2], single crystal (determination of cell parameters), single crystal, 0.20×0.35×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Nb[O2]F5[H2O]2
  • Alphabetic Formula: F5[H2O]2Na2Nb[O2]
  • Published Formula: Na2[NbF5(O2)]·2H2O
  • Refined Formula: F5H4Na2NbO4
  • Wyckoff Sequence: 41,b6a2
  • Z Formula Units: 4
  • Density: ρ = 2.74 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1122461

  • 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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