Inorganic Solid Phases

K3Na5[Mn2(H2O)6Mn4(H2O)2(SiW9O34)2]·23.5H2O (K3Na5W18Mn6[SiO4]2O60[H2O]31.5) Crystal Structure

General Information

  • Phase Label(s): K3Na5W18Mn6[SiO4]2O60[H2O]31.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP140
  • Space Group: 2
  • Phase Prototype: K3Na5W18Mn6[SiO4]2O60[H2O]31.5
  • Measurement Detail(s): automatic diffractometer; 8010 (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 555 variables; 4146 reflections; I > 2σ(I), R = 0.0553; wR = 0.1189
  • Sample Detail(s): sample prepared from K8[β-SiW11O39][H2O]14, MnCl2, NaN3, chemical analysis; 2.31 wt.% K, 2.25 wt.% Na, 1.21 wt.% H, 6.03 wt.% Mn, 0.92 wt.% Si, 59.1 wt.% W, single crystal (determination of cell parameters), single crystal, 0.21×0.29×0.33 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K3Na5W18Mn6[SiO4]2O60[H2O]31.5
  • Alphabetic Formula: [H2O]31.5K3Mn6Na5O60[SiO4]2W18
  • Published Formula: K3Na5[Mn2(H2O)6Mn4(H2O)2(SiW9O34)2]·23.5H2O
  • Refined Formula: H63K3Mn6Na5O99.50Si2W18
  • Wyckoff Sequence: 2,i69gf
  • Z Formula Units: 1
  • Density: ρ = 4.00 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_1219796

  • 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