Inorganic Solid Phases

(Ba1−xSrx)2Cu1.1O2.2+d(CO3)0.9, x= 0.44 (Ba1.12Sr0.88Cu1.1[CO3]0.9O2.3) Crystal Structure

General Information

  • Phase Label(s): Ba1.12Sr0.88Cu1.1[CO3]0.9O2.3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP44
  • Space Group: 90
  • Phase Prototype: (Ba0.55Sr0.45)2Cu1.11[CO3]0.89O2.32
  • 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): carbonate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.073
  • Sample Detail(s): sample prepared from (Ba0.56Sr0.44)2Cu1.1O2.2+d[CO3]0.9, electron microprobe analysis; (Ba0.49Sr0.49)2Cu1.1O2.2+d[CO3]0.9+c, single crystal (determination of cell parameters), single crystal, 2×2×2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba1.12Sr0.88Cu1.1[CO3]0.9O2.3
  • Alphabetic Formula: Ba1.12[CO3]0.9Cu1.1O2.3Sr0.88
  • Published Formula: (Ba1−xSrx)2Cu1.1O2.2+d(CO3)0.9, x= 0.44
  • Refined Formula: Ba1.02C0.84Cu1.16O4.99Sr0.98
  • Wyckoff Sequence: 90,g3fedc2ba
  • Z Formula Units: 2
  • Density: ρ = 5.33 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_1624933

  • 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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