Inorganic Solid Phases

Li4K16[P8W48O184Fe16(OH)28(H2O)4]·66H2O·2KCl (K9Li2W24Fe8[PO4]4ClO76[OH]14[H2O]35, T = 173(2) K) Crystal Structure

General Information

  • Phase Label(s): K9Li2W24Fe8[PO4]4ClO76[OH]14[H2O]35
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP744
  • Space Group: 58
  • Phase Prototype: K9Li2W24Fe8[PO4]4ClO76[OH]14[H2O]35
  • Measurement Detail(s): automatic diffractometer; 6684 (determination of cell parameters), automatic diffractometer; Bruker AXS D8 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, chloride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 492 variables; 10468 reflections; I > 2σ(I), R = 0.059; wR = 0.1592
  • Sample Detail(s): sample prepared from K28Li5[H7P8W48O184][H2O]92, FeCl3[H2O]6, KCl, chemical analysis, thermogravimetry; 0.24 wt.% Li, 4.73 wt.% K, 5.35 wt.% Fe, 58.1 wt.% W, 1.60 wt.% P, 0.28 wt.% Cl; H2O content analyzed, single crystal (determination of cell parameters), single crystal, 0.06×0.12×0.33 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K9Li2W24Fe8[PO4]4ClO76[OH]14[H2O]35
  • Alphabetic Formula: ClFe8[H2O]35K9Li2O76[OH]14[PO4]4W24
  • Published Formula: Li4K16[P8W48O184Fe16(OH)28(H2O)4]·66H2O·2KCl
  • Refined Formula: ClFe8H66K6O132P4W24
  • Wyckoff Sequence: 58,h85g16
  • Z Formula Units: 4
  • Density: ρ = 3.75 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_1124489

  • 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