Inorganic Solid Phases

Y0.8Ca0.2Ba2Cu2.66C0.34O6.92 (Ba2Ca0.2Cu2.66Y0.8[CO3]0.34O5.9) Crystal Structure

General Information

  • Phase Label(s): Ba2Ca0.2Cu2.66Y0.8[CO3]0.34O5.9
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP26
  • Space Group: 123
  • Phase Prototype: Ba2(Ca0.2Y0.8)Cu2.66[CO3]0.34O5.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor, E3 (determination of structural parameters), neutrons; λ = 0.2445 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement
  • Sample Detail(s): sample prepared from Y2O3, CaCO3, BaCO3, CuO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Ca0.2Cu2.66Y0.8[CO3]0.34O5.9
  • Alphabetic Formula: Ba2[CO3]0.34Ca0.2Cu2.66O5.9Y0.8
  • Published Formula: Y0.8Ca0.2Ba2Cu2.66C0.34O6.92
  • Refined Formula: Ba2C0.34Ca0.20Cu2.66O6.93Y0.80
  • Wyckoff Sequence: 123,slihg2fda
  • Z Formula Units: 1
  • Density: ρ = 6.09 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1218767

  • 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