Inorganic Solid Phases

[Cu0.69Cr0.31(OH)2][Cl0.31·0.61H2O] (Cu0.69Cr0.31Cl0.31[OH]2[H2O]0.61) Crystal Structure

General Information

  • Phase Label(s): Cu0.69Cr0.31Cl0.31[OH]2[H2O]0.61
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR63
  • Space Group: 166
  • Phase Prototype: (Zn0.67Al0.33)Cl0.33[OH]2[H2O]0.67
  • Measurement Detail(s): automatic diffractometer; France, Orsay, Laboratoire pour l'Utilisation du Rayonnement Electromagnétique LURE, DW22, WDIF4C (determination of structural parameters), X-rays; λ = 0.10692 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.123
  • Sample Detail(s): sample prepared from CrCl3, CuO, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu0.69Cr0.31Cl0.31[OH]2[H2O]0.61
  • Alphabetic Formula: Cl0.31Cr0.31Cu0.69[H2O]0.61[OH]2
  • Published Formula: [Cu0.69Cr0.31(OH)2][Cl0.31·0.61H2O]
  • Refined Formula: Cl0.34Cr0.33Cu0.67H3.46O2.73
  • Wyckoff Sequence: 166,igca
  • Z Formula Units: 3
  • Density: ρ = 2.98 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_1020908

  • 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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