Inorganic Solid Phases

Ba3TiRu2O9 6L (Ba3Ti2.4Ru0.6O9, T = 1.2 K) Crystal Structure

General Information

  • Phase Label(s): Ba3Ti2.4Ru0.6O9
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP30
  • Space Group: 194
  • Phase Prototype: Ba3(W0.5Fe0.5)2FeO9
  • Measurement Detail(s): automatic diffractometer; 53 (determination of cell parameters), automatic diffractometer; Philips PW1050 (determination of structural parameters), neutrons; λ = 0.25904 nm (determination of cell and structural parameters), T = 1.2 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 20 variables; 53 reflections, R = 0.0244; RP = 0.0730; wRP = 0.0740
  • Sample Detail(s): sample prepared from BaCO3, TiO2 rutile, Ru, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaTi0.33Ru0.67O3
  • Alphabetic Formula: BaO3Ru0.67Ti0.33
  • Published Formula: Ba3TiRu2O9 6L
  • Refined Formula: BaO3Ru0.67Ti0.33
  • Wyckoff Sequence: 194,khf2ba
  • Z Formula Units: 6
  • Density: ρ = 6.79 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_2042180

  • 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)

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