Inorganic Solid Phases

Y1.914Ca0.086Ba3.880Ca0.120Cu7O14+x (Ba3.89Ca0.17Cu7Y1.94O14.6) Crystal Structure

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General Information

  • Phase Label(s): Ba3.89Ca0.17Cu7Y1.94O14.6
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: high-Tc superconductor, metal
  • Mineral Name(s): –
  • Pearson Symbol: oS58
  • Space Group: 65
  • Phase Prototype: Ba4Cu7Y2O14.6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; F > 1.5σ(F), R = 0.0348; wR = 0.0284
  • Sample Detail(s): sample prepared from BaCO3, Y2O3, CuO, CaO, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba3.880Ca0.206Cu7Y1.914O14.6
  • Alphabetic Formula: Ba3.880Ca0.206Cu7O14.6Y1.914
  • Published Formula: Y1.914Ca0.086Ba3.880Ca0.120Cu7O14+x
  • Refined Formula: Ba3.94Ca0.15Cu6.75O14.63Y1.91
  • Wyckoff Sequence: 65,j5i8dba
  • Z Formula Units: 2
  • Density: ρ = 6.15 Mg·m−3
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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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1403976

  • 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)

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