Inorganic Solid Phases

Li1/3Mn1/3Fe1/3Co1/3PO4 (LiMn0.34Fe0.33Co0.33[PO4], T = 300 K) Crystal Structure

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General Information

  • Phase Label(s): LiMn0.34Fe0.33Co0.33[PO4]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP28
  • Space Group: 62
  • Phase Prototype: CaMg[SiO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; South Korea, Daejeon, Korea Atomic Energy Research Institute, HANARO reactor, HRPD (determination of structural parameters), neutrons; λ = 0.1834333 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, RP = 0.0161; wRP = 0.0205; RB = 0.0235
  • Sample Detail(s): sample prepared from LiMn0.334Fe0.333Co0.333[PO4], NO2BF6, inductive coupled plasma method; Li/Mn/Fe/Co ratio 34.8/34.8/35.6/29.6, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.33Mn0.33Fe0.33Co0.34[PO4]
  • Alphabetic Formula: Co0.34Fe0.33Li0.33Mn0.33[PO4]
  • Published Formula: Li1/3Mn1/3Fe1/3Co1/3PO4
  • Refined Formula: Co0.30Fe0.36Li0.46Mn0.35O4P
  • Wyckoff Sequence: 62,dc4a
  • Z Formula Units: 4
  • Density: ρ = 3.58 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
B [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_1243009

  • 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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