Inorganic Solid Phases

La0.815Ba0.185MnO3 (Ba0.3La0.7MnO3 rt) Crystal Structure

General Information

  • Phase Label(s): Ba0.3La0.7MnO3 rt
  • Structure Class(es): perovskite
  • Classification by Properties: ferromagnet FM, intermediate valence, metal, nonmetal, semiconductor, spin glas
  • Mineral Name(s):
  • Pearson Symbol: hR30
  • Space Group: 167
  • Phase Prototype: LaAlO3
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Nonius MACH3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement; 292 reflections; I > 3σ(I), R = 0.008; wR = 0.012
  • Sample Detail(s): electron microprobe analysis; La/Ba/Mn ratio 0.815(10)/0.185(6)/0.996(8), single crystal (determination of cell parameters), single crystal, 0.05×0.06×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.185La0.815MnO3
  • Alphabetic Formula: Ba0.185La0.815MnO3
  • Published Formula: La0.815Ba0.185MnO3
  • Refined Formula: Ba0.19La0.81MnO3
  • Wyckoff Sequence: 167,eba
  • Z Formula Units: 6
  • Density: ρ = 6.68 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1522997

  • 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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