Inorganic Solid Phases

Ba2SmFeNb4O15 (Ba2SmNb4FeO15 rt) Crystal Structure

General Information

  • Phase Label(s): Ba2SmNb4FeO15 rt
  • Structure Class(es): tetragonal bronze
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP46
  • Space Group: 127
  • Phase Prototype: (K0.5Pb0.5)2Nb5PbO15
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.0328; wR = 0.0849
  • Sample Detail(s): sample prepared from Ba[CO3], Sm2O3, Fe2O3 (hematite), Nb2O5, electron microprobe analysis; Ba2.08(2)Sm0.53(2)Nb4.47(2)Fe0.53(2)O14.85(2), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2SmNb4FeO15
  • Alphabetic Formula: Ba2FeNb4O15Sm
  • Published Formula: Ba2SmFeNb4O15
  • Refined Formula: Ba2Fe0.41Nb4.59O15Sm0.60
  • Wyckoff Sequence: 127,j2i3gdcb
  • Z Formula Units: 2
  • Density: ρ = 5.90 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_1606209

  • 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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