Inorganic Solid Phases

Li1.93Zn2.03(MoO4)3 (Li2Zn2[MoO4]3) Crystal Structure

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General Information

  • Phase Label(s): Li2Zn2[MoO4]3
  • Structure Class(es): –
  • Classification by Properties: luminescent, semiconductor
  • Mineral Name(s): –
  • Pearson Symbol: oP76
  • Space Group: 62
  • Phase Prototype: (Li0.75Fe0.25)4[MoO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker-Nonius X8 APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): molybdate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 99 variables; 1806 reflections, R = 0.0272; wR = 0.0506
  • Sample Detail(s): sample prepared from Li2MoO4, ZnMoO4, single crystal (determination of cell parameters), single crystal, 0.01×0.02×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li1.93Zn2.03[MoO4]3
  • Alphabetic Formula: Li1.93[MoO4]3Zn2.03
  • Published Formula: Li1.93Zn2.03(MoO4)3
  • Refined Formula: Li1.93Mo3O12Zn2.03
  • Wyckoff Sequence: 62,d7c5
  • Z Formula Units: 4
  • Density: ρ = 4.39 Mg·m−3
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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_1222991

  • 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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