Inorganic Solid Phases

NdxSr1−xFe0.8Cu0.2O3−d, x= 0.4 (Sr0.3Cu0.2Nd0.7Fe0.8O3) Crystal Structure

General Information

  • Phase Label(s): Sr0.3Cu0.2Nd0.7Fe0.8O3
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP5
  • Space Group: 221
  • Phase Prototype: CaTiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku D/MAX-2200 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15415 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, wRP = 0.03403; RB = 0.05552
  • Sample Detail(s): sample prepared from Nd[NO3]3[H2O]6, Sr[NO3]2, Fe[NO3]3[H2O]9, Cu[NO3]2[H2O]3, X-ray photoelectron spectroscopy (XPS); (Nd+Sr)/(Cu+Fe), Nd/(Nd+Sr), Cu/(Cu+Fe) ratios 1.10, 0.23, 0.22, respectively, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.6Cu0.2Nd0.4Fe0.8O2.93
  • Alphabetic Formula: Cu0.2Fe0.8Nd0.4O2.93Sr0.6
  • Published Formula: NdxSr1−xFe0.8Cu0.2O3−d, x= 0.4
  • Refined Formula: Cu0.20Fe0.80Nd0.40O2.93Sr0.60
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 6.18 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_1942956

  • 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