Inorganic Solid Phases

Bi0.875Pr0.125FeO3 O2 phase (Pr0.125FeBi0.875O3 rt, T = 673 K) Crystal Structure

General Information

  • Phase Label(s): Pr0.125FeBi0.875O3 rt
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP40
  • Space Group: 55
  • Phase Prototype: ZrPbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor, E9, FIREPOD (determination of structural parameters), neutrons; λ = 0.17977 nm (determination of cell and structural parameters), T = 673 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, multiphase, RB = 0.1264
  • Sample Detail(s): sample prepared from Bi2O3, Fe2O3 (hematite), Pr6O11, amounts of rhombohedral R and orthorhombic O1 phases, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Pr0.125FeBi0.875O3
  • Alphabetic Formula: Bi0.875FeO3Pr0.125
  • Published Formula: Bi0.875Pr0.125FeO3 O2 phase
  • Refined Formula: Bi0.88FeO3Pr0.13
  • Wyckoff Sequence: 55,i2h2g2fe
  • Z Formula Units: 8
  • Density: ρ = 8.16 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_1642170

  • 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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