Inorganic Solid Phases

Ba44Cu45O87Cl4 (Ba41Cu44Cl2O84) Crystal Structure

General Information

  • Phase Label(s): Ba41Cu44Cl2O84
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI402
  • Space Group: 229
  • Phase Prototype: Ba41Cu44Cl2O84
  • Measurement Detail(s): automatic diffractometer (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 923 reflections, R = 0.085
  • Sample Detail(s): single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba44Cu45Cl4O87
  • Alphabetic Formula: Ba44Cl4Cu45O87
  • Published Formula: Ba44Cu45O87Cl4
  • Refined Formula: Ba44Cl4Cu45O87
  • Wyckoff Sequence: 229,k3j2ih2fe3da
  • Z Formula Units: 2
  • Density: ρ = 5.68 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_1252643

  • 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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