Inorganic Solid Phases

Hg0.8Au0.2Ba2Ca2Cu3Ox (Ba2Ca2Cu3Au0.2Hg0.8O8.3) Crystal Structure

General Information

  • Phase Label(s): Ba2Ca2Cu3Au0.2Hg0.8O8.3
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP17
  • Space Group: 123
  • Phase Prototype: Ba2Ca2Cu3HgO8.44
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.15932 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0239; wRP = 0.0307
  • Sample Detail(s): sample prepared from Ba[NO3]2, Ca[NO3]2[H2O], CuO, HgO, Au2O3, energy-dispersive X-ray analysis; Au/Hg ratio 0.16(5)/0.71(5); two-phase sample, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Ca2Cu3Au0.2Hg0.8O8.3
  • Alphabetic Formula: Au0.2Ba2Ca2Cu3Hg0.8O8.3
  • Published Formula: Hg0.8Au0.2Ba2Ca2Cu3Ox
  • Refined Formula: Au0.17Ba2Ca2Cu3Hg0.69O8.30
  • Wyckoff Sequence: 123,ih2g2ecba
  • Z Formula Units: 1
  • Density: ρ = 6.26 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1219033

  • 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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