Inorganic Solid Phases

YMn0.5Fe0.5−xPdxO3−d, x= 0.02 (YMn0.5Fe0.45Pd0.05O2.975) Crystal Structure

General Information

  • Phase Label(s): YMn0.5Fe0.45Pd0.05O2.975
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP30
  • Space Group: 185
  • Phase Prototype: LuMnO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-BM-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.0412162 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 = 0.0786; wRP = 0.1068; RB = 0.0604
  • Sample Detail(s): sample prepared from Y[NO3]3[H2O]6, Mn[NO3]2[H2O]x, Fe[NO3]3[H2O]9, citric acid, NH4OH, ethylene glycol, Pd(C2H3O2)2, acetone, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: YMn0.5Fe0.48Pd0.02O2.99
  • Alphabetic Formula: Fe0.48Mn0.5O2.99Pd0.02Y
  • Published Formula: YMn0.5Fe0.5−xPdxO3−d, x= 0.02
  • Refined Formula: Fe0.48Mn0.50O3Pd0.02Y
  • Wyckoff Sequence: 185,c3b2a2
  • Z Formula Units: 6
  • Density: ρ = 5.06 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_1632612

  • 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

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