Inorganic Solid Phases

Tl3Li(MoO4)2 (LiTl3[MoO4]2) Crystal Structure

General Information

  • Phase Label(s): LiTl3[MoO4]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP28
  • Space Group: 186
  • Phase Prototype: LiTl3[MoO4]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.15938 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): molybdate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 36 variables; 226 reflections, R = 0.0723; RP = 0.0474; wRP = 0.0635; RB = 0.0657
  • Sample Detail(s): sample prepared from Tl2CO3, Li2CO3, MoO3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiTl3[MoO4]2
  • Alphabetic Formula: Li[MoO4]2Tl3
  • Published Formula: Tl3Li(MoO4)2
  • Refined Formula: LiMo2O8Tl3
  • Wyckoff Sequence: 186,c2b6a2
  • Z Formula Units: 2
  • Density: ρ = 6.32 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_1905236

  • 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)

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