Inorganic Solid Phases

(Sr0.25Ba1.75)CuO2.14(CO3)0.88 (Ba1.75Sr0.25Cu[CO3]0.88O2.14) Crystal Structure

General Information

  • Phase Label(s): Ba1.75Sr0.25Cu[CO3]0.88O2.14
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP34
  • Space Group: 127
  • Phase Prototype: (Ba0.88Sr0.12)2Cu[CO3]0.88O2.14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3M reactor, HRPD (determination of structural parameters), neutrons; λ = 0.18232 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0673; wRP = 0.0872; RB = 0.0528
  • Sample Detail(s): sample prepared from SrCO3, BaCO3, CuO, combustion-infrared absorption method, iodometric titration; C content analyzed; average Cu valency determined, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba1.75Sr0.25Cu[CO3]0.88O2.14
  • Alphabetic Formula: Ba1.75[CO3]0.88CuO2.14Sr0.25
  • Published Formula: (Sr0.25Ba1.75)CuO2.14(CO3)0.88
  • Refined Formula: Ba1.75C0.88CuO4.79Sr0.25
  • Wyckoff Sequence: 127,k2hgfec
  • Z Formula Units: 2
  • Density: ρ = 5.36 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1625001

  • 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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