Inorganic Solid Phases

Na2K5.25[SbW6O24]Cl0.25·12H2O (K5.25Na2W6SbCl0.25O24[H2O]12) Crystal Structure

General Information

  • Phase Label(s): K5.25Na2W6SbCl0.25O24[H2O]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR171
  • Space Group: 166
  • Phase Prototype: K5.25Na2W6SbCl0.25O24[H2O]12
  • Measurement Detail(s): automatic diffractometer; 11824 (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071075 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 51 variables; 729 reflections; I > 2σ(I), R = 0.0461; wR = 0.1334
  • Sample Detail(s): sample prepared from WO3, K[OH], KSb[OH]6, NaCl, energy-dispersive X-ray analysis, inductive coupled plasma method; 0.97 wt.% H, 2.30 wt.% Na, 0.42 wt.% Cl, 9.84 wt.% K, 5.96 wt.% Sb, 52.5 wt.% W, single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.19 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K5.25Na2W6SbCl0.25O24[H2O]12
  • Alphabetic Formula: Cl0.25[H2O]12K5.25Na2O24SbW6
  • Published Formula: Na2K5.25[SbW6O24]Cl0.25·12H2O
  • Refined Formula: Cl0.24H24K5.28Na2O36SbW6
  • Wyckoff Sequence: 166,ih5gfca
  • Z Formula Units: 3
  • Density: ρ = 3.66 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_1603812

  • 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