Inorganic Solid Phases

Cu6O8InCl (Cu6InClO8) Crystal Structure

General Information

  • Phase Label(s): Cu6InClO8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF64
  • Space Group: 225
  • Phase Prototype: Cu6Pb(Cl0.6Br0.4)O7.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), KENS, HRP (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), neutrons, time-of-flight (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, R = 0.0218; RP = 0.0346; wRP = 0.0474
  • Sample Detail(s): sample prepared from CuCl2[H2O]2, In[NO3]3[H2O]3, chemical analysis; Cl6.19Cu37.03In6.84O49.94, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu6InClO8
  • Alphabetic Formula: ClCu6InO8
  • Published Formula: Cu6O8InCl
  • Refined Formula: ClCu6InO8
  • Wyckoff Sequence: 225,fdba
  • Z Formula Units: 4
  • Density: ρ = 5.71 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_1903122

  • 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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