Inorganic Solid Phases

Nd0.487Sr0.487MnO2.988 (Sr0.5Nd0.5MnO3 rt orth2, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Sr0.5Nd0.5MnO3 rt orth2
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM, ferromagnet FM, intermediate valence, metal, nonmetal, sem
  • Mineral Name(s):
  • Pearson Symbol: oI20
  • Space Group: 74
  • Phase Prototype: Ba(Pb0.5Bi0.5)O3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7A (determination of structural parameters), X-rays, synchrotron; λ = 0.07907 nm (determination of cell and structural parameters), T = 300 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 = 0.0680; wRP = 0.0957
  • Sample Detail(s): sample prepared from Nd2O3, SrCO3, Mn3O4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.487Nd0.487MnO2.988
  • Alphabetic Formula: MnNd0.487O2.988Sr0.487
  • Published Formula: Nd0.487Sr0.487MnO2.988
  • Refined Formula: MnNd0.49O3Sr0.49
  • Wyckoff Sequence: 74,ge2a
  • Z Formula Units: 4
  • Density: ρ = 6.32 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]

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_1004663

  • 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