Inorganic Solid Phases

[(Y,REE)8(H2O)25(UO2)16O8(OH)8(CO3)16](H2O)14 (Y4.22[UO2]16Dy3.78[CO3]16O8[OH]8[H2O]39) Crystal Structure

General Information

  • Phase Label(s): Y4.22[UO2]16Dy3.78[CO3]16O8[OH]8[H2O]39
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bijvoetite-(Y)
  • Pearson Symbol: mP350
  • Space Group: 4
  • Phase Prototype: (Y0.53Dy0.47)8[UO2]16[CO3]16O8[OH]8[H2O]39
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 6622 reflections; F > 4σ(F), R = 0.0837
  • Sample Detail(s): bijvoetite sample from, electron microprobe analysis; 5.81 wt.% Y2O3, 0.33 wt.% Ce2O3, 2.13 wt.% Nd2O3, 1.73 wt.% Sm2O3, 0.46 wt.% Eu2O3, 1.78 wt.% Gd2O3, 0.26 wt.% Tb2O3, 2.15 wt.% Dy2O3, 0.62 wt.% Er2O3, 0.19 wt.% CaO, 67.30 wt.% UO3, 9.51 wt.% CO2, 9.49 wt.% H2O, twinned crystal (determination of cell parameters), twinned crystal, 0.01×0.06×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Y4.22[UO2]16Dy3.78[CO3]16O8[OH]8[H2O]39
  • Alphabetic Formula: [CO3]16Dy3.78[H2O]39O8[OH]8[UO2]16Y4.22
  • Published Formula: [(Y,REE)8(H2O)25(UO2)16O8(OH)8(CO3)16](H2O)14
  • Refined Formula: C16Dy3.78H86O135U16Y4.22
  • Wyckoff Sequence: 4,a175
  • Z Formula Units: 2
  • Density: ρ = 3.89 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_1014064

  • 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