Inorganic Solid Phases

(Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+d (Cu0.21La0.2Pr1.8Ni0.74Ga0.05O4.21, T = 1288.8 K) Crystal Structure

General Information

  • Phase Label(s): Cu0.21La0.2Pr1.8Ni0.74Ga0.05O4.21
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI30
  • Space Group: 139
  • Phase Prototype: (Cu0.21Ni0.74Ga0.05)(La0.1Pr0.9)2O4.15
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3 reactor, HERMES (determination of structural parameters), neutrons; λ = 0.182646 nm (determination of cell and structural parameters), T = 1288.8 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 = 0.0459; wRP = 0.0648; RB = 0.0218
  • Sample Detail(s): sample prepared from Ni(CH3COO)2, La[NO3]3, Pr[NO3]3, Cu[NO3]2, Ga[NO3]3, inductive coupled plasma method, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu0.21La0.2Pr1.8Ni0.74Ga0.05O4.21
  • Alphabetic Formula: Cu0.21Ga0.05La0.2Ni0.74O4.21Pr1.8
  • Published Formula: (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+d
  • Refined Formula: Cu0.21Ga0.05La0.20Ni0.74O4.15Pr1.80
  • Wyckoff Sequence: 139,ne2ca
  • Z Formula Units: 2
  • Density: ρ = 7.10 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
B [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_1630349

  • 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