Inorganic Solid Phases

[Y0.8Ca0.2](SrBa)Cu2.6(BO3)0.4O7−d (BaSrCa0.2Cu2.5Y0.8[BO3]0.5O5.5) Crystal Structure

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General Information

  • Phase Label(s): BaSrCa0.2Cu2.5Y0.8[BO3]0.5O5.5
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP37
  • Space Group: 47
  • Phase Prototype: (Ba0.5Sr0.5)2(Ca0.2Y0.8)Cu2.9[BO3]0.1O6.7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; HZG (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthoborate, borate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0992; wRP = 0.1396
  • Sample Detail(s): sample prepared from Y2O3, BaO2, SrCO3, CaCO3, CuO, H3BO3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaSrCa0.2Cu2.6Y0.8[BO3]0.4O5.8
  • Alphabetic Formula: [BO3]0.4BaCa0.2Cu2.6O5.8SrY0.8
  • Published Formula: [Y0.8Ca0.2](SrBa)Cu2.6(BO3)0.4O7−d
  • Refined Formula: B0.40BaCa0.20Cu2.60O7SrY0.80
  • Wyckoff Sequence: 47,α3tsrq2hba
  • Z Formula Units: 1
  • Density: ρ = 5.66 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_1621061

  • 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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