Inorganic Solid Phases

Na12Li16{[Cu(H2O)]2[Cu4(OH)4(H2O)8]2P8W48O184}·55H2O (Na12Li16Cu10W48[PO4]8O152[OH]8[H2O]73) Crystal Structure

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General Information

  • Phase Label(s): Na12Li16Cu10W48[PO4]8O152[OH]8[H2O]73
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS796
  • Space Group: 12
  • Phase Prototype: Na12Li16Cu10W48[PO4]8O152[OH]8[H2O]73
  • Measurement Detail(s): automatic diffractometer; 12225 (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): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 840 variables; 7649 reflections; I > 2σ(I), R = 0.0801; wR = 0.1869
  • Sample Detail(s): sample prepared from K28Li5[H7P8W48O184][H2O]92, CH3COONa, (Mo2O4[H2O]6)2+, HCl, CuCl2[H2O]2, inductive coupled plasma method; 0.84 wt.% Li, 1.83 wt.% Na, 4.21 wt.% Cu, 1.56 wt.% P, 60.7 wt.% W, single crystal (determination of cell parameters), single crystal, 0.09×0.19×0.21 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na12Li16Cu10W48[PO4]8O152[OH]8[H2O]73
  • Alphabetic Formula: Cu10[H2O]73Li16Na12O152[OH]8[PO4]8W48
  • Published Formula: Na12Li16{[Cu(H2O)]2[Cu4(OH)4(H2O)8]2P8W48O184}·55H2O
  • Refined Formula: Cu10H154Li16Na12O265P8W48
  • Wyckoff Sequence: 12,j91i15hba
  • Z Formula Units: 2
  • Density: ρ = 3.46 Mg·m−3
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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_1021715

  • 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)

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