Inorganic Solid Phases

Cu2CO3(OH)2 (Cu2[CO3][OH]2, p = 3.1(5) GPa) Crystal Structure

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General Information

  • Phase Label(s): Cu2[CO3][OH]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): malachite
  • Pearson Symbol: mP32
  • Space Group: 14
  • Phase Prototype: Cu2[CO3][OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, ID09A (determination of structural parameters), X-rays, synchrotron; λ = 0.0414 nm (determination of cell and structural parameters), p = 3.1(5) GPa (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonate, hydroxide
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, full-matrix least-squares refinement, R = 0.0667
  • Sample Detail(s): malachite sample from unknown, electron microprobe analysis; no cations other than Cu detected, twinned crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu2[CO3][OH]2
  • Alphabetic Formula: [CO3]Cu2[OH]2
  • Published Formula: Cu2CO3(OH)2
  • Refined Formula: CCu2H2O5
  • Wyckoff Sequence: 14,e8
  • Z Formula Units: 4
  • Density: ρ = 4.28 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1129304

  • 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)

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