Inorganic Solid Phases

K4Na7[(α-SiFe3W9(OH)3O34)2(OH)3]·36H2O (K4Na7W18Fe6[SiO4]2O60[OH]9[H2O]36, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): K4Na7W18Fe6[SiO4]2O60[OH]9[H2O]36
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS700
  • Space Group: 15
  • Phase Prototype: K4Na7W18Fe6[SiO4]2O60[OH]9[H2O]36
  • Measurement Detail(s): automatic diffractometer; 7064 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (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): hydroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 709 variables; 12739 reflections; I > 2σ(I), R = 0.0511; wR = 0.1094
  • Sample Detail(s): sample prepared from Fe[NO3]3[H2O]9, sodium acetate, Na10SiW9O34[H2O]18, KCl, chemical analysis; 5.91 wt.% Fe, 2.76 wt.% K, 2.79 wt.% Na, 8.4 wt.% H2O, 0.95 wt.% Si, 56.71 wt.% W, single crystal (determination of cell parameters), single crystal, 0.13×0.20×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K4Na7W18Fe6[SiO4]2O60[OH]9[H2O]36
  • Alphabetic Formula: Fe6[H2O]36K4Na7O60[OH]9[SiO4]2W18
  • Published Formula: K4Na7[(α-SiFe3W9(OH)3O34)2(OH)3]·36H2O
  • Refined Formula: Fe6H71.20K4Na7O112.60Si2W18
  • Wyckoff Sequence: 15,f87e
  • Z Formula Units: 4
  • Density: ρ = 3.83 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_1626203

  • 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