Inorganic Solid Phases

(UO2)2Nb2O6(OH)2·2H2O ([UO2]NbO3[OH][H2O]) Crystal Structure

General Information

  • Phase Label(s): [UO2]NbO3[OH][H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): carlosbarbosaite
  • Pearson Symbol: oS76
  • Space Group: 63
  • Phase Prototype: [UO2]NbO3[OH][H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 455 reflections; F > 4σ(F), R = 0.037; wR = 0.094
  • Sample Detail(s): carlosbarbosaite sample from Brazil, Minas Gerais, Jaguaracu, energy-dispersive X-ray analysis, wavelength-dispersive X-ray analysis; (0.68Ca0.28Nd0.02Ce0.02)[U1.440.56O2.88(H2O)1.12](Nb0.80Ta0.52Si0.27Ti0.21Al0.11Fe0.10)O4.72[OH]3.20[H2O]2.08, single crystal (determination of cell parameters), single crystal, 0.002×0.007×0.050 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [UO2]NbO3[OH][H2O]
  • Alphabetic Formula: [H2O]NbO3[OH][UO2]
  • Published Formula: (UO2)2Nb2O6(OH)2·2H2O
  • Refined Formula: Al0.05Ca0.14Ce0Fe0.04H3Nb0.40Nd0.02O7Si0.21Ta0.27Ti0.04U0.52
  • Wyckoff Sequence: 63,hg4f2ec
  • Z Formula Units: 8
  • Density: ρ = 5.35 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_1229165

  • 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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