Inorganic Solid Phases

Nd0.5Ca0.5Mn1−xCrxO3, x= 0.03 (Ca0.5Nd0.5Cr0.02Mn0.98O3, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Ca0.5Nd0.5Cr0.02Mn0.98O3
  • Structure Class(es): perovskite
  • Classification by Properties: antiferromagnet AFM, ferromagnet FM, intermediate valence, metal, nonmetal, spi
  • Mineral Name(s):
  • Pearson Symbol: oP20
  • Space Group: 62
  • Phase Prototype: GdFeO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3M reactor, HERMES (determination of structural parameters), neutrons; λ = 0.18196 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; composition dependence studied, Rietveld refinement, wRP = 0.0770; RB = 0.0277
  • Sample Detail(s): sample prepared from Nd2O3, CaCO3, Mn3O4, Cr2O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.5Nd0.5Cr0.03Mn0.97O3
  • Alphabetic Formula: Ca0.5Cr0.03Mn0.97Nd0.5O3
  • Published Formula: Nd0.5Ca0.5Mn1−xCrxO3, x= 0.03
  • Refined Formula: Ca0.50Cr0.03Mn0.97Nd0.50O3
  • Wyckoff Sequence: 62,dc2a
  • Z Formula Units: 4
  • Density: ρ = 5.87 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_1220616

  • 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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