Inorganic Solid Phases

H20[P8W60Ta12(H2O)4(OH)8O236]·125H2O (H20Ta12W60[PO4]8O204[OH]8[H2O]129, T = 103(2) K) Crystal Structure

General Information

  • Phase Label(s): H20Ta12W60[PO4]8O204[OH]8[H2O]129
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP908
  • Space Group: 114
  • Phase Prototype: H20Ta12W60[PO4]8O204[OH]8[H2O]129
  • Measurement Detail(s): automatic diffractometer; 9953 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 103(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; 1024 variables; 6552 reflections; I > 2σ(I), R = 0.0841; wR = 0.1524
  • Sample Detail(s): sample prepared from K8Na8H4(P8W60Ta12[H2O]4[OH]8O236)[H2O]42, HCl, chemical analysis; 1.34 wt.% P, 11.14 wt.% Ta, 56.10 wt.% W, single crystal (determination of cell parameters), single crystal, 0.20×0.26×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H20Ta12W60[PO4]8O204[OH]8[H2O]129
  • Alphabetic Formula: H20[H2O]129O204[OH]8[PO4]8Ta12W60
  • Published Formula: H20[P8W60Ta12(H2O)4(OH)8O236]·125H2O
  • Refined Formula: H218O357P8Ta12W60
  • Wyckoff Sequence: 114,e113d
  • Z Formula Units: 2
  • Density: ρ = 4.13 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_1646046

  • 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