Inorganic Solid Phases

Li3Fe2(PO4)3 (Li3Fe2[PO4]3 rhom, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Li3Fe2[PO4]3 rhom
  • Structure Class(es): Nasicon family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR120
  • Space Group: 148
  • Phase Prototype: Li3In2[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 3T2 (determination of structural parameters), neutrons; λ = 0.12251 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 44 variables; 989 reflections, RP = 0.0952; wRP = 0.0977; RB = 0.0350
  • Sample Detail(s): sample prepared from Na3Fe2[PO4]3, LiNO3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li3Fe2[PO4]3
  • Alphabetic Formula: Fe2Li3[PO4]3
  • Published Formula: Li3Fe2(PO4)3
  • Refined Formula: Fe2Li3O12P3
  • Wyckoff Sequence: 148,f6c2
  • Z Formula Units: 6
  • Density: ρ = 3.09 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [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_1413953

  • 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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