Inorganic Solid Phases

Y1−xCaxBa2Cu3−xCoxO7−d, x= 0.12 (Ba2Ca0.30Cu2.70Y0.70Co0.30O7) Crystal Structure

General Information

  • Phase Label(s): Ba2Ca0.30Cu2.70Y0.70Co0.30O7
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: high-Tc superconductor, metal, superconductor
  • Mineral Name(s):
  • Pearson Symbol: tP14
  • Space Group: 123
  • Phase Prototype: Ba2Cu3YO6.3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 3T2 (determination of structural parameters), neutrons; λ = 0.12269 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wRP = 0.0491; RB = 0.0405
  • Sample Detail(s): sample prepared from Y2O3, BaCO3, CaCO3, CuO, Co3O4, thermogravimetry; O content analyzed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Ca0.12Cu2.88Y0.88Co0.12O6.96
  • Alphabetic Formula: Ba2Ca0.12Co0.12Cu2.88O6.96Y0.88
  • Published Formula: Y1−xCaxBa2Cu3−xCoxO7−d, x= 0.12
  • Refined Formula: Ba2Ca0.14Co0.12Cu2.88O6.96Y0.86
  • Wyckoff Sequence: 123,ihg2fda
  • Z Formula Units: 1
  • Density: ρ = 6.28 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
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_1624860

  • 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