Inorganic Solid Phases

Pr1−xBaxCoO3−d, x= 0.5 (BaPrCo2O5.8) Crystal Structure

General Information

  • Phase Label(s): BaPrCo2O5.8
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: ferromagnet FM, intermediate valence, semiconductor, thermoelectric
  • Mineral Name(s):
  • Pearson Symbol: tP10
  • Space Group: 123
  • Phase Prototype: Ba(Cu0.5Fe0.5)2PrO5.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D5000 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.1078; wRP = 0.1602
  • Sample Detail(s): sample prepared from Pr6O11, HNO3, Co[NO3]2[H2O]6, citric acid, ethylene glycol, BaCoO3, energy-dispersive X-ray analysis, iodometric titration; oxygen coefficient 2.88 (5.76), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaPrCo2O5.76
  • Alphabetic Formula: BaCo2O5.76Pr
  • Published Formula: Pr1−xBaxCoO3−d, x= 0.5
  • Refined Formula: BaCo2O6Pr
  • Wyckoff Sequence: 123,igdcba
  • Z Formula Units: 1
  • Density: ρ = 6.96 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1923601

  • 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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