Inorganic Solid Phases

NaN3 (Na[N3] rt) Crystal Structure

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General Information

  • Phase Label(s): Na[N3] rt
  • Structure Class(es): –
  • Classification by Properties: ionic conductor, nonmetal
  • Mineral Name(s): –
  • Pearson Symbol: hR12
  • Space Group: 166
  • Phase Prototype: Na[N3]
  • Measurement Detail(s): automatic diffractometer; 16 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα1 (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): azide
  • Interpretation Detail(s): complete structure determined; electron density studied; refinement techniques compared, least-squares refinement; 11 variables; 69 reflections, R = 0.0153; wR = 0.0190
  • Sample Detail(s): sample prepared from NaN3, twinned crystal (determination of cell parameters), twinned crystal, 0.2×0.3×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na[N3]
  • Alphabetic Formula: [N3]Na
  • Published Formula: NaN3
  • Refined Formula: N3Na
  • Wyckoff Sequence: 166,cba
  • Z Formula Units: 3
  • Density: ρ = 1.85 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
B11 [nm2]
B22 [nm2]
B33 [nm2]
2B12 [nm2]
2B13 [nm2]
2B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1251448

  • 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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