Inorganic Solid Phases

Na14[αββα-(NiOH2)2Fe2(P2W15O56)2]·24H2O (Na14W30Fe2Ni2[PO4]4O96[H2O]26, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Na14W30Fe2Ni2[PO4]4O96[H2O]26
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP199
  • Space Group: 2
  • Phase Prototype: Na14W30Fe2Ni2[PO4]4O96[H2O]26
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 100 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 on F2; I > 2σ(I), R = 0.0800; wR = 0.1852
  • Sample Detail(s): sample prepared from (NaOH2)2Fe2(P2W15O56)216−, NiCl2[H2O]6, NaCl, chemical analysis; Fe, Na, Ni, P and W content analyzed, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na14W30Fe2Ni2[PO4]4O96[H2O]26
  • Alphabetic Formula: Fe2[H2O]26Na14Ni2O96[PO4]4W30
  • Published Formula: Na14[αββα-(NiOH2)2Fe2(P2W15O56)2]·24H2O
  • Refined Formula: Fe2H52Na5Ni2O138P4W30
  • Wyckoff Sequence: 2,i99b
  • Z Formula Units: 1
  • Density: ρ = 3.93 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_1811382

  • 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