Inorganic Solid Phases

HgBa2Sm0.5Ca0.5Cu2O6+d (Ba2Ca0.5Cu2HgSm0.5O6.25) Crystal Structure

General Information

  • Phase Label(s): Ba2Ca0.5Cu2HgSm0.5O6.25
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP13
  • Space Group: 123
  • Phase Prototype: Ba2CaCu2TlO6.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154059 nm (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.041; wRP = 0.053; RB = 0.017
  • Sample Detail(s): sample prepared from HgO, BaO, Sm2O3, CaO, CuO, energy-dispersive X-ray analysis; cation content analyzed; trace amounts of CaHgO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Ca0.5Cu2HgSm0.5O6.25
  • Alphabetic Formula: Ba2Ca0.5Cu2HgO6.25Sm0.5
  • Published Formula: HgBa2Sm0.5Ca0.5Cu2O6+d
  • Refined Formula: Ba2Ca0.52Cu2Hg0.86O6.40Sm0.48
  • Wyckoff Sequence: 123,ihg2dca
  • Z Formula Units: 1
  • Density: ρ = 6.98 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_1624987

  • 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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