Inorganic Solid Phases

Ca(Cu,Mg)(AsO4)(OH) (CaMg0.13Cu0.87[AsO4][OH]) Crystal Structure

General Information

  • Phase Label(s): CaMg0.13Cu0.87[AsO4][OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): conichalcite
  • Pearson Symbol: oP32
  • Space Group: 19
  • Phase Prototype: CaCu[AsO4][OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 78 variables; 875 reflections, R = 0.0361; wR = 0.0778
  • Sample Detail(s): conichalcite sample from U.S.A. Arizona, Higgins mine, electron microprobe analysis; Ca(Cu0.96Mg0.04)[AsO4][OH], single crystal (determination of cell parameters), single crystal, 0.093×0.093×0.096 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg0.04Cu0.96[AsO4][OH]
  • Alphabetic Formula: [AsO4]CaCu0.96Mg0.04[OH]
  • Published Formula: Ca(Cu,Mg)(AsO4)(OH)
  • Refined Formula: AsCaCu0.96HMg0.04O5
  • Wyckoff Sequence: 19,a8
  • Z Formula Units: 4
  • Density: ρ = 4.32 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223397

  • 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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