Inorganic Solid Phases

Li1.15Ti1.85In0.15P3O12 (Li1.15Ti1.85In0.15[PO4]3) Crystal Structure

General Information

  • Phase Label(s): Li1.15Ti1.85In0.15[PO4]3
  • Structure Class(es): Nasicon family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR144
  • Space Group: 167
  • Phase Prototype: Li1.12(Ti0.94In0.06)2[PO4]3
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source NSLS, X13A (determination of structural parameters), X-rays, synchrotron; λ = 0.13233 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.1658; RB = 0.0288
  • Sample Detail(s): chemical analysis; Li1+xTi2−xInxP3O12, x= 0.25 (nominal composition of sample); amounts of LiInP2O7 (< 5 mol.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li1.15Ti1.85In0.15P3O12
  • Alphabetic Formula: In0.15Li1.15O12P3Ti1.85
  • Published Formula: Li1.15Ti1.85In0.15P3O12
  • Refined Formula: In0.15Li1.15O12P3Ti1.85
  • Wyckoff Sequence: 167,f2e2cb
  • Z Formula Units: 6
  • Density: ρ = 3.00 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_1613258

  • 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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