Inorganic Solid Phases

LiFePO4/C composite (LiFe[PO4] rt) Crystal Structure

General Information

  • Phase Label(s): LiFe[PO4] rt
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM, ferromagnet FM, intercalation compound, ionic conductor, n
  • Mineral Name(s): triphylite
  • Pearson Symbol: oP28
  • Space Group: 62
  • Phase Prototype: CaMg[SiO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1050 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.0376
  • Sample Detail(s): sample prepared from C17H35COOH (stearic acid), H[NH4]2[PO4], Fe[SO4][H2O]7, Li[NO3], amounts of Fe[PO4] (11.3(1) wt.%) and C in amorphous state, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiFe[PO4]
  • Alphabetic Formula: FeLi[PO4]
  • Published Formula: LiFePO4/C composite
  • Refined Formula: FeLiO4P
  • Wyckoff Sequence: 62,dc4a
  • Z Formula Units: 4
  • Density: ρ = 3.59 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_1604035

  • 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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