Inorganic Solid Phases

Ba4Sb3LiO12 (LiBa4Sb3O12, T = 4.2 K) Crystal Structure

General Information

  • Phase Label(s): LiBa4Sb3O12
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI40
  • Space Group: 229
  • Phase Prototype: LiBa4Sb3O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Harwell, Atomic Energy Research Establishment, PLUTO reactor, PANDA (determination of structural parameters), neutrons; λ = 0.154 nm (determination of cell and structural parameters), T = 4.2 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; I > 0.3σ(I), RP = 0.060; RB = 0.037
  • Sample Detail(s): sample prepared from Sb2O3 (valentinite), Li2CO3, BaCO3, atomic absorption spectroscopy, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiBa4Sb3O12
  • Alphabetic Formula: Ba4LiO12Sb3
  • Published Formula: Ba4Sb3LiO12
  • Refined Formula: Ba4Li0.99O12Sb3.01
  • Wyckoff Sequence: 229,edcba
  • Z Formula Units: 2
  • Density: ρ = 6.67 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

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_1404655

  • 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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