Inorganic Solid Phases

Dy2(ZT)3(CHN7)4·24H2O, (ZT)2−= (C2N10)2−; C10H50Dy2N58O24 (Dy2[C2N10]3[CN7H]4[H2O]24, T = 100(2) K) Crystal Structure

General Information

  • Phase Label(s): Dy2[C2N10]3[CN7H]4[H2O]24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP108
  • Space Group: 2
  • Phase Prototype: Dy2[C2N10]3[CN7H]4[H2O]24
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): azo-bis(tetrazolate), hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement on F2; 584 variables; 4984 reflections; I > 2σ(I), R = 0.0261; wR = 0.0513
  • Sample Detail(s): sample prepared from Na2(C2N10)·2H2O, Dy(NO3)3·5H2O, chemical analysis; 9.7 wt.% C, 2.8 wt.% H, 41.8 wt.% N, single crystal (determination of cell parameters), single crystal, 0.03×0.08×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Dy2[C2N10]3[CN7H]4[H2O]24
  • Alphabetic Formula: [CN7H]4[C2N10]3Dy2[H2O]24
  • Published Formula: Dy2(ZT)3(CHN7)4·24H2O, (ZT)2−= (C2N10)2−; C10H50Dy2N58O24
  • Refined Formula: C10Dy2H52N58O24
  • Wyckoff Sequence: 2,i54
  • Z Formula Units: 1
  • Density: ρ = 1.81 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_1727869

  • 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