Inorganic Solid Phases

Na3Nb12O31F Crystal Structure

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General Information

  • Phase Label(s): Na3Nb12O31F
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: tP94
  • Space Group: 75
  • Phase Prototype: Na3Nb12(O0.97F0.03)32
  • Measurement Detail(s): Guinier-Hägg film; 34 (determination of cell parameters), automatic diffractometer; Nicolet P3m (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): fluoride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1628 reflections; I > 6σ(I), R = 0.140
  • Sample Detail(s): sample prepared from NaF, Nb2O5, powder (determination of cell parameters), single crystal, 0.034×0.035×0.129 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3Nb12O31F
  • Alphabetic Formula: FNa3Nb12O31
  • Published Formula: Na3Nb12O31F
  • Refined Formula: Na3Nb12O32
  • Wyckoff Sequence: 75,d23c
  • Z Formula Units: 2
  • Density: ρ = 4.67 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
B [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_1407822

  • 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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