Inorganic Solid Phases

Na13−xTl3+x[(UO2)(MoO4)3]4(H2O)6+x, x= 0.1 (Na12.9Tl3.1[UO2]4[MoO4]12[H2O]6.1) Crystal Structure

General Information

  • Phase Label(s): Na12.9Tl3.1[UO2]4[MoO4]12[H2O]6.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP194
  • Space Group: 13
  • Phase Prototype: Na12.9Tl3.1[UO2]4[MoO4]12[H2O]6.1
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P3 SMART APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): molybdate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 5703 reflections; F > 4σ(F), R = 0.050; wR = 0.086
  • Sample Detail(s): sample prepared from [UO2][NO3]2[H2O]6, Na2MoO4[H2O]4, TlNO3, amounts of Na3Tl3[UO2][MoO4]4, single crystal (determination of cell parameters), single crystal, 0.02×0.06×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na12.9Tl3.1[UO2]4[MoO4]12[H2O]6.1
  • Alphabetic Formula: [H2O]6.1[MoO4]12Na12.9Tl3.1[UO2]4
  • Published Formula: Na13−xTl3+x[(UO2)(MoO4)3]4(H2O)6+x, x= 0.1
  • Refined Formula: H13.20Mo12Na12.90O62.60Tl3.10U4
  • Wyckoff Sequence: 13,g47fe2
  • Z Formula Units: 2
  • Density: ρ = 4.16 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_1217294

  • 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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