Inorganic Solid Phases

Ca(UO2)2(SiO3OH)2·5H2O (H2Ca[UO2]2[SiO4]2[H2O]5 mon2) Crystal Structure

General Information

  • Phase Label(s): H2Ca[UO2]2[SiO4]2[H2O]5 mon2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): uranophane-alpha
  • Pearson Symbol: mP44
  • Space Group: 4
  • Phase Prototype: H2Ca[UO2]2[SiO4]2[H2O]5
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 54 variables; 4422 reflections, R = 0.030; wR = 0.038
  • Sample Detail(s): uranophane sample from France, Auvergne, Puy-de-Dome, Bois Noirs, single crystal (determination of cell parameters), single crystal, 0.12×0.46×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2Ca[UO2]2[SiO4]2[H2O]5
  • Alphabetic Formula: CaH2[H2O]5[SiO4]2[UO2]2
  • Published Formula: Ca(UO2)2(SiO3OH)2·5H2O
  • Refined Formula: CaH12O17Si2U2
  • Wyckoff Sequence: 4,a22
  • Z Formula Units: 2
  • Density: ρ = 3.86 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1901513

  • 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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