Inorganic Solid Phases

(Sm1.1Ce0.9)Ba2Sm2Cu2Ti2GaO16 (Ba2Cu2Ce0.9Sm3.1Ti2GaO16) Crystal Structure

General Information

  • Phase Label(s): Ba2Cu2Ce0.9Sm3.1Ti2GaO16
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI54
  • Space Group: 139
  • Phase Prototype: Ba2Cu2(Ce0.45Sm0.55)2Sm2Ti2GaO16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, R = 0.078; RP = 0.073; wRP = 0.094; RB = 0.082
  • Sample Detail(s): sample prepared from Sm2O3, BaCO3, Ga2O3, CuO, TiO2 rutile, CeO2, energy-dispersive X-ray analysis; Sm/Ce/Cu/Ga ratio 3.1/0.92/2.05/0.96, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Cu2Ce0.9Sm3.1Ti2GaO16
  • Alphabetic Formula: Ba2Ce0.9Cu2GaO16Sm3.1Ti2
  • Published Formula: (Sm1.1Ce0.9)Ba2Sm2Cu2Ti2GaO16
  • Refined Formula: Ba2Ce0.90Cu2GaO16Sm3.10Ti2
  • Wyckoff Sequence: 139,g2e7dca
  • Z Formula Units: 2
  • Density: ρ = 6.95 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_1510171

  • 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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