Inorganic Solid Phases

Li(Fe0.40Co0.60)PO4 (LiFe0.5Co0.5[PO4]) Crystal Structure

General Information

  • Phase Label(s): LiFe0.5Co0.5[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; Sweden, Studsvik Neutron Research Laboratory, R2 reactor (determination of structural parameters), neutrons; λ = 0.147 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement
  • Sample Detail(s): sample prepared from FeC2O4[H2O]4, Li2CO3, NH4H2PO4, Co(C4H6O4)2[H2O]4, inductive coupled plasma method; 22.4 wt.% Co, 13.8 wt.% Fe, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiFe0.40Co0.60[PO4]
  • Alphabetic Formula: Co0.60Fe0.40Li[PO4]
  • Published Formula: Li(Fe0.40Co0.60)PO4
  • Refined Formula: Co0.61Fe0.39LiO4P
  • Wyckoff Sequence: 62,dc4a
  • Z Formula Units: 4
  • Density: ρ = 3.71 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_1421213

  • 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

    Citation copied