Inorganic Solid Phases

(H3O)[Ce3(H2O)172-As2W17O61)]·13H2O, Ce(III) ([H3O]Ce3W17[AsO4]2O53[H2O]30) Crystal Structure

General Information

  • Phase Label(s): [H3O]Ce3W17[AsO4]2O53[H2O]30
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP200
  • Space Group: 2
  • Phase Prototype: [H3O]Ce3W17[AsO4]2O53[H2O]30
  • Measurement Detail(s): automatic diffractometer; 3077 (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 791 variables; 11075 reflections; I > 2σ(I), R = 0.0527; wR = 0.1180
  • Sample Detail(s): sample prepared from K6As2W18O62[H2O]14, LiClO4[H2O]3, Ce[NO3]3[H2O]6, chemical analysis; 7.90 wt.% Ce, 2.82 wt.% As, 59.30 wt.% W, single crystal (determination of cell parameters), single crystal, 0.10×0.11×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [H3O]Ce3W17[AsO4]2O53[H2O]30
  • Alphabetic Formula: [AsO4]2Ce3[H2O]30[H3O]O53W17
  • Published Formula: (H3O)[Ce3(H2O)172-As2W17O61)]·13H2O, Ce(III)
  • Refined Formula: As2Ce3H34O78W17
  • Wyckoff Sequence: 2,i100
  • Z Formula Units: 2
  • Density: ρ = 3.69 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_1219727

  • 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