Inorganic Solid Phases

Al14Ba8La26.3Ru18Sr53.7O167 (BaSr6.71La3.29Ru2.25Al1.75O20.875) Crystal Structure

General Information

  • Phase Label(s): BaSr6.71La3.29Ru2.25Al1.75O20.875
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF408
  • Space Group: 196
  • Phase Prototype: Ba(Sr0.67La0.33)10Ru2(Al0.125Al0.875)2O20.875
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Garching, Forschungs-Neutronenquelle Heinz Maier-Leibnitz, FRM II reactor, SPODI (determination of structural parameters), neutrons; λ = 0.1548 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.054; wRP = 0.060; RB = 0.071
  • Sample Detail(s): sample prepared from La2O3, SrCO3, CuO, RuO2, BaCl2, amounts of Ba3SrRu2O9 (18 wt.%) and Sr2RuO4 (3 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaSr6.71La3.29Ru2.25Al1.75O20.875
  • Alphabetic Formula: Al1.75BaLa3.29O20.875Ru2.25Sr6.71
  • Published Formula: Al14Ba8La26.3Ru18Sr53.7O167
  • Refined Formula: Al1.76BaLa3.34O20.88Ru2.24Sr6.66
  • Wyckoff Sequence: 196,h6gfe4ca
  • Z Formula Units: 8
  • Density: ρ = 5.60 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1629796

  • 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