Inorganic Solid Phases

NdSrNi1−xCuxO4−d, x= 0.2; SrNdNi0.8Cu0.2O3.951 (SrCu0.2NdNi0.8O3.95) Crystal Structure

General Information

  • Phase Label(s): SrCu0.2NdNi0.8O3.95
  • Structure Class(es): Ruddlesden-Popper phase, high-Tc cuprate family
  • Classification by Properties: semiconductor
  • Mineral Name(s):
  • Pearson Symbol: tI14
  • Space Group: 139
  • Phase Prototype: K2NiF4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 3T2 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154056 nm (determination of cell parameters), neutrons; λ = 0.12253 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.0334; RB = 0.0152
  • Sample Detail(s): sample prepared from Nd2O3, SrCO3, NiO, CuO, thermogravimetry, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: SrCu0.2NdNi0.8O3.951
  • Alphabetic Formula: Cu0.2NdNi0.8O3.951Sr
  • Published Formula: NdSrNi1−xCuxO4−d, x= 0.2; SrNdNi0.8Cu0.2O3.951
  • Refined Formula: Cu0.20NdNi0.80O3.84Sr
  • Wyckoff Sequence: 139,e2ca
  • Z Formula Units: 2
  • Density: ρ = 6.63 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1910649

  • 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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