Inorganic Solid Phases

KNaCs10[{γ-SiW10O36Cu2(H2O)(N3)2}2]·26H2O (Cs10KNaCu4W20Si2[N3]4O72[H2O]28, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Cs10KNaCu4W20Si2[N3]4O72[H2O]28
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP368
  • Space Group: 14
  • Phase Prototype: Cs5K0.5Na0.5Cu2W10[SiO4][N3]2O32[H2O]14
  • Measurement Detail(s): automatic diffractometer; 9376 (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): azide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 794 variables; 18101 reflections; I > 2σ(I), R = 0.0376; wR = 0.0903
  • Sample Detail(s): sample prepared from K8[SiW10O36][H2O]12, CuCl2[H2O]2, chemical analysis; Cu/W ratio 2/10; 50.89 wt.% W, 3.72 wt.% Cu, 18.49 wt.% Cs, 2.13 wt.% N, 0.43 wt.% K, 0.12 wt.% Na, single crystal (determination of cell parameters), single crystal, 0.05×0.10×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs5K0.5Na0.5Cu2W10[SiO4][N3]2O32[H2O]14
  • Alphabetic Formula: Cs5Cu2[H2O]14K0.5[N3]2Na0.5O32[SiO4]W10
  • Published Formula: KNaCs10[{γ-SiW10O36Cu2(H2O)(N3)2}2]·26H2O
  • Refined Formula: Cs5.50Cu2H28.50K0.25N6Na0.25O50.25SiW10
  • Wyckoff Sequence: 14,e92
  • Z Formula Units: 4
  • Density: ρ = 4.52 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_1710592

  • 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