Inorganic Solid Phases

Pb(Mn0.25Fe0.25Nb0.5)O3 (Nb0.5Mn0.25Fe0.25PbO3 cub2, T = 10 K) Crystal Structure

General Information

  • Phase Label(s): Nb0.5Mn0.25Fe0.25PbO3 cub2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP12
  • Space Group: 221
  • Phase Prototype: (Zr0.85Ti0.15)PbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Sweden, Studsvik Neutron Research Laboratory, R2 reactor (determination of structural parameters), neutrons; λ = 0.1470 nm (determination of cell and structural parameters), T = 10 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, RP = 0.0311; wRP = 0.0392; RB = 0.0417
  • Sample Detail(s): sample prepared from PbO, Nb2O5, Mn2O3, Fe2O3 (hematite), energy-dispersive X-ray analysis; Pb0.98(4)Nb0.53(3)Mn0.26(3)Fe0.23(3)O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Nb0.5Mn0.25Fe0.25PbO3
  • Alphabetic Formula: Fe0.25Mn0.25Nb0.5O3Pb
  • Published Formula: Pb(Mn0.25Fe0.25Nb0.5)O3
  • Refined Formula: Fe0.25Mn0.25Nb0.50O3Pb
  • Wyckoff Sequence: 221,gda
  • Z Formula Units: 1
  • Density: ρ = 8.47 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1602959

  • 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