Inorganic Solid Phases

A-α-Cs6H[Si(NbO2)3W9O37]·9H2O (HCs6Nb3W9[SiO4]O33[O2]3[H2O]9) Crystal Structure

General Information

  • Phase Label(s): HCs6Nb3W9[SiO4]O33[O2]3[H2O]9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS576
  • Space Group: 15
  • Phase Prototype: HCs6Nb3W9[SiO4]O33[O2]3[H2O]9
  • Measurement Detail(s): automatic diffractometer (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 = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): peroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 634 variables; 6612 reflections; I > 2σ(I), R = 0.0586; wR = 0.1319
  • Sample Detail(s): sample prepared from Na10SiW9O34[H2O]23, K7HNb6O19[H2O]13, H2O2, HCl, CsCl, chemical analysis; 0.53 wt.% H, 0.78 wt.% Si, 22.1 wt.% Cs, 7.72 wt.% Nb, 45.8 wt.% W, single crystal (determination of cell parameters), single crystal, 0.17×0.20×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HCs6Nb3W9[SiO4]O33[O2]3[H2O]9
  • Alphabetic Formula: Cs6H[H2O]9Nb3O33[O2]3[SiO4]W9
  • Published Formula: A-α-Cs6H[Si(NbO2)3W9O37]·9H2O
  • Refined Formula: Cs6.66H14Nb3O50SiW9
  • Wyckoff Sequence: 15,f70e2dc
  • Z Formula Units: 8
  • Density: ρ = 4.70 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_1626155

  • 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