Inorganic Solid Phases

Na12[La(H2O)9]2[(α2-P2W17O61H4)La(H2O)4]6·100H2O (H12Na6La4W51[PO4]6O159[H2O]71) Crystal Structure

General Information

  • Phase Label(s): H12Na6La4W51[PO4]6O159[H2O]71
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP706
  • Space Group: 176
  • Phase Prototype: H12Na6La4W51[PO4]6O159[H2O]71
  • Measurement Detail(s): automatic diffractometer; 1589 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) 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; 558 variables; 5317 reflections; I > 2σ(I), R = 0.0443; wR = 0.0870
  • Sample Detail(s): sample prepared from K6[α-P2W18O62][H2O]n, LaCl3[H2O]7, 1,3,5-benzenetricarboxylic acid, chemical analysis; 1.22 wt.% H, 1.09 wt.% Na, 3.97 wt.% La, 1.14 wt.% P, 64.55 wt.% W, single crystal (determination of cell parameters), single crystal, 0.16×0.22×0.28 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H12Na6La4W51[PO4]6O159[H2O]71
  • Alphabetic Formula: H12[H2O]71La4Na6O159[PO4]6W51
  • Published Formula: Na12[La(H2O)9]2[(α2-P2W17O61H4)La(H2O)4]6·100H2O
  • Refined Formula: H142La4Na6O254P6W51
  • Wyckoff Sequence: 176,i48h19f2edb
  • Z Formula Units: 2
  • Density: ρ = 3.74 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_1940741

  • 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