Inorganic Solid Phases

Bi1.94Sr1.78Ca0.72Cu1.86O8.4 (Sr1.78Ca0.72Cu1.86Bi1.94O8.4) Crystal Structure

General Information

  • Phase Label(s): Sr1.78Ca0.72Cu1.86Bi1.94O8.4
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: high-Tc superconductor, intermediate valence, metal, superconductor
  • Mineral Name(s):
  • Pearson Symbol: oP308
  • Space Group: 48
  • Phase Prototype: Sr1.78Ca0.72Cu1.86Bi1.94O8.4
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Ag Kα; λ = 0.056083 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): commensurate approximant determined; refinement in superspace, full-matrix least-squares refinement; I > 3σ(I), R = 0.070; wR = 0.079
  • Sample Detail(s): electron microprobe analysis; Bi/Sr/Ca/Cu ratio 1.90/1.79/1.00/1.86, single crystal (determination of cell parameters), single crystal, 0.014×0.25×1.50 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr1.78Ca0.72Cu1.86Bi1.94O8.4
  • Alphabetic Formula: Bi1.94Ca0.72Cu1.86O8.4Sr1.78
  • Published Formula: Bi1.94Sr1.78Ca0.72Cu1.86O8.4
  • Refined Formula: Bi1.94Ca0.72Cu1.86O8.40Sr1.78
  • Wyckoff Sequence: 48,m35l3k3f
  • Z Formula Units: 20
  • Density: ρ = 6.22 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1123185

  • 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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