Inorganic Solid Phases

Pr2Ni0.75Cu0.25O4+d (Cu0.25Pr2Ni0.75O4.1, T = 875 K) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Cu0.25Pr2Ni0.75O4.1
  • Structure Class(es): Ruddlesden-Popper phase, high-Tc cuprate family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: tI14
  • Space Group: 139
  • Phase Prototype: K2NiF4
  • 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 = 0.18204(5) nm (determination of cell and structural parameters), T = 875 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, multiphase, R = 0.0075; wRP = 0.0616; RB = 0.0125
  • Sample Detail(s): sample prepared from Ni(CH3COO)2, Cu[NO3]2, Pr[NO3]3, inductive coupled plasma method, thermogravimetry; oxygen coefficient 4.19 at rt, 4.10 at 873 K; amounts of Cu0.75Pr4Ni2.25O10, and Pr2O3 (6.50 and 2.36 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu0.25Pr2Ni0.75O4.10
  • Alphabetic Formula: Cu0.25Ni0.75O4.10Pr2
  • Published Formula: Pr2Ni0.75Cu0.25O4+d
  • Refined Formula: Cu0.25Ni0.75O4.10Pr2
  • Wyckoff Sequence: 139,e2dca
  • Z Formula Units: 2
  • Density: ρ = 7.19 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1605113

  • 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

    Download this citation

    Citation copied