Inorganic Solid Phases

Bi2.06Sr1.7Ca1.24Cu2O8, Bi2(Sr,Ca)3Cu2Ox (Sr2CaCu2Bi2O8) Crystal Structure

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General Information

  • Phase Label(s): Sr2CaCu2Bi2O8
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: charge-density wave state CDW, diamagnetic, ferroelastic FEL, high-Tc supercond
  • Mineral Name(s): –
  • Pearson Symbol: oF60
  • Space Group: 69
  • Phase Prototype: Sr2(Ca0.8Bi0.2)Cu2Bi2O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC5 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 354 reflections; I > 3σ(I), R = 0.069; wR = 0.064
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.01×0.07×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr1.7Ca1.24Cu2Bi2.06O8
  • Alphabetic Formula: Bi2.06Ca1.24Cu2O8Sr1.7
  • Published Formula: Bi2.06Sr1.7Ca1.24Cu2O8, Bi2(Sr,Ca)3Cu2Ox
  • Refined Formula: Bi2.06Ca1.24Cu2O8Sr1.70
  • Wyckoff Sequence: 66,l5h2f
  • Z Formula Units: 4
  • Density: ρ = 6.59 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

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_1000540

  • 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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