Inorganic Solid Phases

Nd2Cu0.86Li0.14O3.94 (Li0.5Cu0.5Nd2O4 tet) Crystal Structure

General Information

  • Phase Label(s): Li0.5Cu0.5Nd2O4 tet
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI14
  • Space Group: 139
  • Phase Prototype: CuNd2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.1909 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, RP = 0.0512; wRP = 0.0620
  • Sample Detail(s): sample prepared from Nd2O3, CuO, Li2CO3, flame spectroscopy, thermogravimetry; Li and O content analyzed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.14Cu0.86Nd2O3.94
  • Alphabetic Formula: Cu0.86Li0.14Nd2O3.94
  • Published Formula: Nd2Cu0.86Li0.14O3.94
  • Refined Formula: Cu0.86Li0.14Nd2O3.90
  • Wyckoff Sequence: 139,edca
  • Z Formula Units: 2
  • Density: ρ = 7.14 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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1614627

  • 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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