Inorganic Solid Phases

rhombohedral phase in Bi0.9Sm0.1Fe0.85Mn0.15O3, Bi/Sm= 0.97(2)/0.03(2), Fe/Mn= 0.93/0.07 (Sm0.03Mn0.07Fe0.93Bi0.97O3) Crystal Structure

General Information

  • Phase Label(s): Sm0.03Mn0.07Fe0.93Bi0.97O3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR30
  • Space Group: 161
  • Phase Prototype: LiNbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, HRPD (determination of structural parameters), neutrons (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.0491; wRP = 0.0493
  • Sample Detail(s): sample prepared from Bi2O3, Fe2O3 (hematite), Sm2O3, Mn2O3, amounts of Imma-Sm0.1Mn0.15Fe0.85Bi0.9O3 (31 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sm0.03Mn0.07Fe0.93Bi0.97O3
  • Alphabetic Formula: Bi0.97Fe0.93Mn0.07O3Sm0.03
  • Published Formula: rhombohedral phase in Bi0.9Sm0.1Fe0.85Mn0.15O3, Bi/Sm= 0.97(2)/0.03(2), Fe/Mn= 0.93/0.07
  • Refined Formula: Bi0.97Fe0.93Mn0.07O3Sm0.03
  • Wyckoff Sequence: 161,ba2
  • Z Formula Units: 6
  • Density: ρ = 8.40 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1127532

  • 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