Inorganic Solid Phases

Cu2(OH)3Cl (Cu2Cl[OH]3 rhom) Crystal Structure

General Information

  • Phase Label(s): Cu2Cl[OH]3 rhom
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): paratacamite
  • Pearson Symbol: hR144
  • Space Group: 148
  • Phase Prototype: Cu2Cl[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, chloride
  • Interpretation Detail(s): positions of non-H atoms in average structure determined, full-matrix least-squares refinement, R = 0.019; wR = 0.021
  • Sample Detail(s): paratacamite sample from Chile, Antofagasta, Sierra Gorda, Generosa mine, single crystal (determination of cell parameters), single crystal, 0.00032 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu2Cl[OH]3
  • Alphabetic Formula: ClCu2[OH]3
  • Published Formula: Cu2(OH)3Cl
  • Refined Formula: ClCu2H3O3
  • Wyckoff Sequence: 166,h2dca
  • Z Formula Units: 6
  • Density: ρ = 3.75 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_1814247

  • 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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