Inorganic Solid Phases

K12Na7[{SiW8O31Cu3(OH)(H2O)2(N3)}3(N3)]·24H2O (K12Na7Cu9W24Si3[N3]4O93[OH]3[H2O]30) Crystal Structure

General Information

  • Phase Label(s): K12Na7Cu9W24Si3[N3]4O93[OH]3[H2O]30
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR1212
  • Space Group: 161
  • Phase Prototype: K12Na7Cu9W24Si3[N3]4O93[OH]3[H2O]30
  • Measurement Detail(s): automatic diffractometer; 16505 (determination of cell parameters), automatic diffractometer; Bruker-Nonius X8 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): azide, hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, full-matrix least-squares refinement on F2; 576 variables; 4834 reflections; I > 2σ(I), R = 0.0481; wR = 0.0977
  • Sample Detail(s): sample prepared from K8[SiW10O36][H2O]12, Cu[NO3]2[H2O]3, chemical analysis; 55.52 wt.% W, 7.18 wt.% Cu, 6.01 wt.% K, single crystal (determination of cell parameters), single crystal, 0.06×0.08×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K12Na7Cu9W24[SiO4]3[N3]4O81[OH]3[H2O]30
  • Alphabetic Formula: Cu9[H2O]30K12[N3]4Na7O81[OH]3[SiO4]3W24
  • Published Formula: K12Na7[{SiW8O31Cu3(OH)(H2O)2(N3)}3(N3)]·24H2O
  • Refined Formula: Cu9H53.50K12.75N12Na4.50O121.25Si3W24
  • Wyckoff Sequence: 161,b65a7
  • Z Formula Units: 6
  • Density: ρ = 4.25 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_1710593

  • 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