Inorganic Solid Phases

Bi2(Ca0.65Nd0.35)2CuOy (Ca1.3CuNd0.7Bi2O6.35) Crystal Structure

General Information

  • Phase Label(s): Ca1.3CuNd0.7Bi2O6.35
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP60
  • Space Group: 52
  • Phase Prototype: (Ca0.65Nd0.35)2CuBi2O6.35
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; India, Trombay-Mumbai, Bhabha Atomic Research Centre BARC, DHRUVA reactor (determination of structural parameters), neutrons; λ = 0.1216 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0296; wRP = 0.0397; RB = 0.0096
  • Sample Detail(s): sample prepared from Bi2O3, Nd2O3, CuO, CaCO3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca1.3CuNd0.7Bi2O6.35
  • Alphabetic Formula: Bi2Ca1.3CuNd0.7O6.35
  • Published Formula: Bi2(Ca0.65Nd0.35)2CuOy
  • Refined Formula: Bi1.90Ca1.30Cu0.88Nd0.70O5.24
  • Wyckoff Sequence: 52,e7d
  • Z Formula Units: 4
  • Density: ρ = 7.13 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1011519

  • 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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