Inorganic Solid Phases

Bi0.5Hg0.5Sr4Cu2CO3O7−d, [(Bi,Hg)Sr2CuO5−d][Sr2CuO2CO3] (Sr4Cu2Hg0.5Bi0.5[CO3]O6.75) Crystal Structure

General Information

  • Phase Label(s): Sr4Cu2Hg0.5Bi0.5[CO3]O6.75
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP27
  • Space Group: 123
  • Phase Prototype: Sr4Cu2(Hg0.5Bi0.5)[CO3]O6.75
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.078; RB = 0.069
  • Sample Detail(s): sample prepared from HgO, [BiO]2CO3, SrO2, SrCO3, Sr2CuO3, CuO, energy-dispersive X-ray analysis; composition confirmed; amounts of SrCO3 and Hg-1201, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr4Cu2Hg0.5Bi0.5[CO3]O6.75
  • Alphabetic Formula: Bi0.5[CO3]Cu2Hg0.5O6.75Sr4
  • Published Formula: Bi0.5Hg0.5Sr4Cu2CO3O7−d, [(Bi,Hg)Sr2CuO5−d][Sr2CuO2CO3]
  • Refined Formula: Bi0.50C0.96Cu2Hg0.55O9.72Sr4
  • Wyckoff Sequence: 123,slih2g2dba
  • Z Formula Units: 1
  • Density: ρ = 5.85 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_1625097

  • 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

    Citation copied