Inorganic Solid Phases

LiFe0.5Mn0.5PO4/C (LiMn0.5Fe0.5[PO4]) Crystal Structure

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General Information

  • Phase Label(s): LiMn0.5Fe0.5[PO4]
  • Structure Class(es): –
  • Classification by Properties: antiferromagnet AFM
  • Mineral Name(s): ferrisicklerite
  • Pearson Symbol: oP28
  • Space Group: 62
  • Phase Prototype: CaMg[SiO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (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, RP = 0.0099; wRP = 0.0125; RB = 0.00515
  • Sample Detail(s): sample prepared from Li(CH3COO)2[H2O]2, FeCl2[H2O]4, MnCl2[H2O]4, P2O5, critic acid, amounts of C (9.7 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiMn0.5Fe0.5[PO4]
  • Alphabetic Formula: Fe0.5LiMn0.5[PO4]
  • Published Formula: LiFe0.5Mn0.5PO4/C
  • Refined Formula: Fe0.50LiMn0.50O4P
  • Wyckoff Sequence: 62,dc4a
  • Z Formula Units: 4
  • Density: ρ = 3.52 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1605592

  • 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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