Inorganic Solid Phases

TiI3 Crystal Structure

General Information

  • Phase Label(s): TiI3 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP16
  • Space Group: 59
  • Phase Prototype: RuBr3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Berlin, Berliner Elektronen-Speicherring Gesellschaft für Synchrotronstrahlung, BESSY reactor, BL14.2 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 273 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): iodide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement; 1738 reflections, R = 0.0530; wR = 0.1116
  • Sample Detail(s): sample prepared from TiO2 rutile, Ti, I2, amounts of TiI2 and Ti2O3 phases, twinned crystal (determination of cell parameters), twinned crystal, 0.03×0.07×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: TiI3
  • Alphabetic Formula: I3Ti
  • Published Formula: TiI3
  • Refined Formula: I3Ti
  • Wyckoff Sequence: 59,fe2ba
  • Z Formula Units: 4
  • Density: ρ = 4.96 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1222762

  • 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

    Citation copied