Inorganic Solid Phases

K20Li6H4[K4{Mo4O4S4(H2O)3(OH)2}2(WO2)(P8W48O184)]·95H2O (H4K24Li6W49Mo8[PO4]8S8O162[OH]4[H2O]101) Crystal Structure

General Information

  • Phase Label(s): H4K24Li6W49Mo8[PO4]8S8O162[OH]4[H2O]101
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI830
  • Space Group: 139
  • Phase Prototype: H4K24Li6W49Mo8[PO4]8S8O162[OH]4[H2O]101
  • Measurement Detail(s): automatic diffractometer; 8977 (determination of cell parameters), automatic diffractometer; Bruker-Nonius X8 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 261 variables; 4840 reflections; I > 2σ(I), R = 0.0684; wR = 0.1849
  • Sample Detail(s): sample prepared from LiCl, HCl, K2−x[NMe4]x(I2Mo10O10S10[OH]10[H2O]5)[H2O]20, chemical analysis, energy-dispersive X-ray analysis, thermogravimetry, single crystal (determination of cell parameters), single crystal, 0.06×0.1×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4K24Li6W49Mo8[PO4]8S8O162[OH]4[H2O]101
  • Alphabetic Formula: H4[H2O]101K24Li6Mo8O162[OH]4[PO4]8S8W49
  • Published Formula: K20Li6H4[K4{Mo4O4S4(H2O)3(OH)2}2(WO2)(P8W48O184)]·95H2O
  • Refined Formula: H57K24Mo8O236.50P8S8W49.04
  • Wyckoff Sequence: 139,o14n12m4l6kfea
  • Z Formula Units: 2
  • Density: ρ = 3.52 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_1634367

  • 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