Inorganic Solid Phases

K3Na7Li5.5Ni0.25[Na3{Ni3.5(H2O)13}{WO2(H2O)2}2{WO(H2O)}3(P2W12O48)3]·xH2O (x ≈ 64) (K3Na10Li5.5W41Ni3.5[PO4]6O127[H2O]84, T = 150 K) Crystal Structure

General Information

  • Phase Label(s): K3Na10Li5.5W41Ni3.5[PO4]6O127[H2O]84
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP536
  • Space Group: 2
  • Phase Prototype: K3Na10Li5.5W41Ni3.5[PO4]6O127[H2O]84
  • Measurement Detail(s): automatic diffractometer (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 = 150 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1813 variables; 35547 reflections; I > 2σ(I), R = 0.0759; wR = 0.1630
  • Sample Detail(s): sample prepared from K12(H2P2W12O48)[H2O]24, HCl, NiCl2, Na2WO4[H2O]2, LiCl, chemical analysis; 0.87 wt.% K, 2.01 wt.% Na, 0.32 wt.% Li, 1.88 wt.% Ni, 1.33 wt.% P, 61.1 wt.% W, single crystal (determination of cell parameters), single crystal, 0.23×0.26×0.28 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K3Na10Li5.5W41Ni3.5[PO4]6O127[H2O]84
  • Alphabetic Formula: [H2O]84K3Li5.5Na10Ni3.5O127[PO4]6W41
  • Published Formula: K3Na7Li5.5Ni0.25[Na3{Ni3.5(H2O)13}{WO2(H2O)2}2{WO(H2O)}3(P2W12O48)3]·xH2O (x ≈ 64)
  • Refined Formula: H64K3Li2Na10Ni3.75O187P6W41
  • Wyckoff Sequence: 2,i268
  • Z Formula Units: 2
  • Density: ρ = 3.85 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_1626691

  • 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

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