Inorganic Solid Phases

(Y1.98Dy0.24)H0.34[(UO2)8O7OH(SO4)4](H2O)26 (H0.34Y1.98[UO2]8Dy0.24[SO4]4O7[OH][H2O]26) Crystal Structure

General Information

  • Phase Label(s): H0.34Y1.98[UO2]8Dy0.24[SO4]4O7[OH][H2O]26
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sejkoraite-(Y)
  • Pearson Symbol: aP162
  • Space Group: 2
  • Phase Prototype: H0.34Y1.98[UO2]8Dy0.24[SO4]4O7[OH][H2O]26
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini (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): hydroxide, sulfate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 404 variables; 11644 reflections, R = 0.1049; wR = 0.0620
  • Sample Detail(s): sejkoraite sample from Czech Republic, Karlovy Vary Region, Krusne Hory, Jachymov (Sankt Joachimsthal), electron microprobe analysis; (Y1.49Dy0.17Gd0.11Er0.07Yb0.05Sm0.02)H0.54([UO2]8.19O7OH[SO4]3.81)[H2O]26.00, twinned crystal (determination of cell parameters), twinned crystal, 0.0529×0.0885×0.1124 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.34Y1.98[UO2]8Dy0.24[SO4]4O7[OH][H2O]26
  • Alphabetic Formula: Dy0.24H0.34[H2O]26O7[OH][SO4]4[UO2]8Y1.98
  • Published Formula: (Y1.98Dy0.24)H0.34[(UO2)8O7OH(SO4)4](H2O)26
  • Refined Formula: Dy0.24H53O66S4U8Y1.98
  • Wyckoff Sequence: 2,i81
  • Z Formula Units: 2
  • Density: ρ = 4.02 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226193

  • 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

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