Inorganic Solid Phases

[(UO2)18(O2)15(W2O6(OH)3)(H2PO4)12(H2O)6]9− (H33[UO2]18W2[PO4]12O6[O2]15[OH]3[H2O]6, T = 100(2) K) Crystal Structure

General Information

  • Phase Label(s): H33[UO2]18W2[PO4]12O6[O2]15[OH]3[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP322
  • Space Group: 194
  • Phase Prototype: H33[UO2]18W2[PO4]12O6[O2]15[OH]3[H2O]6
  • Measurement Detail(s): automatic diffractometer; 3045 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, peroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 84 variables; 2636 reflections; I > 2σ(I), R = 0.0601; wR = 0.1609
  • Sample Detail(s): sample prepared from H3PW12O40, H3PO3, UO2[NO3]2[H2O]6, H2O2, LiOH[H2O], energy-dispersive X-ray analysis, single crystal (determination of cell parameters), single crystal, 0.030×0.048×0.056 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H33[UO2]18W2[PO4]12O6[O2]15[OH]3[H2O]6
  • Alphabetic Formula: H33[H2O]6O6[OH]3[O2]15[PO4]12[UO2]18W2
  • Published Formula: [(UO2)18(O2)15(W2O6(OH)3)(H2PO4)12(H2O)6]9−
  • Refined Formula: H15O129P12U18W2
  • Wyckoff Sequence: 194,l7k11jhf
  • Z Formula Units: 2
  • Density: ρ = 1.86 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_1641254

  • 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