Inorganic Solid Phases

Na9K11[P8W48O184Fe16(OH)28(H2O)4]·100H2O (K5.5Na4.5W24Fe8[PO4]4O76[OH]14[H2O]52, T = 183(2) K) Crystal Structure

General Information

  • Phase Label(s): K5.5Na4.5W24Fe8[PO4]4O76[OH]14[H2O]52
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS1576
  • Space Group: 15
  • Phase Prototype: K5.5Na4.5W24Fe8[PO4]4O76[OH]14[H2O]52
  • Measurement Detail(s): automatic diffractometer; 5236 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 183(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1584 variables; 14786 reflections; I > 2σ(I), R = 0.109; wR = 0.2467
  • Sample Detail(s): sample prepared from K28Li5[H7P8W48O184][H2O]92, NaCH3COO, (Fe3O(CH3COO)6[H2O]3)Cl[H2O], chemical analysis; 1.3 wt.% Na, 2.8 wt.% K, single crystal (determination of cell parameters), single crystal, 0.06×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K5.5Na4.5W24Fe8[PO4]4O76[OH]14[H2O]52
  • Alphabetic Formula: Fe8[H2O]52K5.5Na4.5O76[OH]14[PO4]4W24
  • Published Formula: Na9K11[P8W48O184Fe16(OH)28(H2O)4]·100H2O
  • Refined Formula: Fe8H75K3Na4O145.50P4W24
  • Wyckoff Sequence: 15,f197
  • Z Formula Units: 8
  • Density: ρ = 3.95 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_1124490

  • 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