Inorganic Solid Phases

Li9Fe3(P2O7)3(PO4)2 (Li9Fe3[PO4]2[P2O7]3) Crystal Structure

General Information

  • Phase Label(s): Li9Fe3[PO4]2[P2O7]3
  • Structure Class(es):
  • Classification by Properties: ionic conductor
  • Mineral Name(s):
  • Pearson Symbol: hP98
  • Space Group: 165
  • Phase Prototype: Li9Al3[PO4]2[P2O7]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, diphosphate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 77 variables; 770 reflections; I > 3σ(I), R = 0.025; wR = 0.028
  • Sample Detail(s): sample prepared from Li3PO4, Fe2O3 (hematite), NH4H2PO4, amounts of Li4P2O7 (lt) and LiPO3 (ht) (before washing), single crystal (determination of cell parameters), single crystal, 0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li9Fe3[PO4]2[P2O7]3
  • Alphabetic Formula: Fe3Li9[PO4]2[P2O7]3
  • Published Formula: Li9Fe3(P2O7)3(PO4)2
  • Refined Formula: Fe3Li9O29P8
  • Wyckoff Sequence: 165,g6f2d3b
  • Z Formula Units: 2
  • Density: ρ = 2.81 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1613754

  • 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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