Inorganic Solid Phases

K(UO2)2(SO4)(OH)3·H2O (K[UO2]2[SO4][OH]3[H2O]) Crystal Structure

General Information

  • Phase Label(s): K[UO2]2[SO4][OH]3[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zippeite
  • Pearson Symbol: mS136
  • Space Group: 15
  • Phase Prototype: K[UO2]2[SO4][OH]3[H2O]
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; STOE STADI 4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 156 variables; 502 reflections; I > 3σ(I), R = 0.0531
  • Sample Detail(s): zippeite sample from synthetic, sample prepared from UO2SO4, K2SO4, KOH, chemical analysis; K1.13[UO2]1.88[SO4]0.94[OH]3[H2O]0.88, single crystal (determination of cell parameters), single crystal, 0.038×0.076×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K[UO2]2[SO4][OH]3[H2O]
  • Alphabetic Formula: [H2O]K[OH]3[SO4][UO2]2
  • Published Formula: K(UO2)2(SO4)(OH)3·H2O
  • Refined Formula: H5KO12SU2
  • Wyckoff Sequence: 15,f16e2
  • Z Formula Units: 8
  • Density: ρ = 4.70 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]

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_1014050

  • 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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