Inorganic Solid Phases

C4H18N12O8Cd; Cd(NH3)4(FOX-7)2, (FOX-7)= 1,1-diamino-2,2-dinitroethylene (Cd[C2N4O4H3]2[NH3]4) Crystal Structure

General Information

  • Phase Label(s): Cd[C2N4O4H3]2[NH3]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP50
  • Space Group: 14
  • Phase Prototype: Cd[C2N4O4H3]2[NH3]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): diamino-dinitroethylene
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 152 variables; 1345 reflections; I > 2σ(I), R = 0.0177; wR = 0.0478
  • Sample Detail(s): sample prepared from 1,1-diamino-2,2-dinitroethylene hydrate, Cd[NO3]2[H2O]6, NH3, chemical analysis; 10.10 wt.% C, 3.6 wt.% H, 35.39 wt.% N, single crystal (determination of cell parameters), single crystal, 0.18×0.22×0.28 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cd[C2N4O4H3]2[NH3]4
  • Alphabetic Formula: [C2N4O4H3]2Cd[NH3]4
  • Published Formula: C4H18N12O8Cd; Cd(NH3)4(FOX-7)2, (FOX-7)= 1,1-diamino-2,2-dinitroethylene
  • Refined Formula: C4CdH18N12O8
  • Wyckoff Sequence: 14,e12a
  • Z Formula Units: 2
  • Density: ρ = 1.94 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_1722512

  • 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