Inorganic Solid Phases

C4N10O6(H4NO)2, bis(hydroxylammonium) 4,4-dinitramino-3,3-azo-bifurazane ([NH3OH]2[C4N6O2N4O4], T = 173 K) Crystal Structure

General Information

  • Phase Label(s): [NH3OH]2[C4N6O2N4O4]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP48
  • Space Group: 14
  • Phase Prototype: [NH3OH]2[C4N6O2N4O4]
  • Measurement Detail(s): automatic diffractometer; 3280 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur 3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): azo-bis(nitramino-furazanate)
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 125 variables; 1182 reflections; I > 2σ(I), R = 0.0263; wR = 0.0645
  • Sample Detail(s): sample prepared from dinitraminoazofurazane, hydrohylamine, chemical analysis; 13.18 wt.% C, 2.57 wt.% H, 45.45 wt.% N, single crystal (determination of cell parameters), single crystal, 0.10×0.30×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH3OH]2[C4N6O2N4O4]
  • Alphabetic Formula: [C4N6O2N4O4][NH3OH]2
  • Published Formula: C4N10O6(H4NO)2, bis(hydroxylammonium) 4,4-dinitramino-3,3-azo-bifurazane
  • Refined Formula: C4H8N12O8
  • Wyckoff Sequence: 14,e12
  • Z Formula Units: 2
  • Density: ρ = 1.88 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_1237447

  • 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