Inorganic Solid Phases

Na2Cu(C3H2N3O3)4·6H2O (H8Na2Cu[C3N3O3]4[H2O]6) Crystal Structure

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General Information

  • Phase Label(s): H8Na2Cu[C3N3O3]4[H2O]6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP45
  • Space Group: 2
  • Phase Prototype: H8Na2Cu[C3N3O3]4[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071093 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): cyanurate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1265 reflections; I > 3σ(I), R = 0.052; wR = 0.058
  • Sample Detail(s): chemical analysis; 22.9 wt.% N, 20.1 wt.% C, 9.0 wt.% Cu, 3.1 wt.% H, single crystal (determination of cell parameters), single crystal, 0.15×0.13×0.07 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H8Na2Cu[C3N3O3]4[H2O]6
  • Alphabetic Formula: [C3N3O3]4CuH8[H2O]6Na2
  • Published Formula: Na2Cu(C3H2N3O3)4·6H2O
  • Refined Formula: C12CuH20N12Na2O18
  • Wyckoff Sequence: 2,i22a
  • Z Formula Units: 1
  • Density: ρ = 1.95 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1827630

  • 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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