Inorganic Solid Phases

Li1−xFe1+xP1−xSixO4, x= 0.35 (Li0.5Fe1.5[SiO4]0.5[PO4]0.5) Crystal Structure

General Information

  • Phase Label(s): Li0.5Fe1.5[SiO4]0.5[PO4]0.5
  • 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; 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, orthosilicate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0199; wRP = 0.0261; RB = 0.0639
  • Sample Detail(s): sample prepared from LiFe[PO4], Fe2[SiO4], energy-dispersive X-ray analysis; composition confirmed; trace amounts of Fe2[SiO4] and Fe, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.65Fe1.35[SiO4]0.35[PO4]0.65
  • Alphabetic Formula: Fe1.35Li0.65[PO4]0.65[SiO4]0.35
  • Published Formula: Li1−xFe1+xP1−xSixO4, x= 0.35
  • Refined Formula: Fe1.41Li0.59O4P0.59Si0.41
  • Wyckoff Sequence: 62,dc4a
  • Z Formula Units: 4
  • Density: ρ = 3.86 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_1603142

  • 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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