Inorganic Solid Phases

Cu3(Zn,Cu,Mg)4Ca2(AsO4)6·2H2O, Cu2.7(Zn3.3Mg0.7)Ca2(AsO4)6·1.41H2O (CaMg0.35Cu1.95Zn1.2[AsO4]3[H2O]0.65) Crystal Structure

General Information

  • Phase Label(s): CaMg0.35Cu1.95Zn1.2[AsO4]3[H2O]0.65
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): erikapohlite
  • Pearson Symbol: mS84
  • Space Group: 15
  • Phase Prototype: Ca(Mg0.35Cu1.5Zn1.2)2Cu1.5[AsO4]3[H2O]0.65
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Hamburg, Deutsches Elektronen-Synchrotron DESY, HASYLAB, DORIS III reactor, F1 (determination of structural parameters), X-rays, synchrotron; λ = 0.050 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.021; wRP = 0.038
  • Sample Detail(s): erikapohlite sample from Namibia, Tsumeb, Tsumeb mine, electron microprobe analysis; Cu3(Zn2.48Cu0.93Mg0.77Fe0.01)Ca2.04As6.20O24.71[H2O]1.29, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaMg0.35Cu1.95Zn1.2[AsO4]3[H2O]0.65
  • Alphabetic Formula: [AsO4]3CaCu1.95[H2O]0.65Mg0.35Zn1.2
  • Published Formula: Cu3(Zn,Cu,Mg)4Ca2(AsO4)6·2H2O, Cu2.7(Zn3.3Mg0.7)Ca2(AsO4)6·1.41H2O
  • Refined Formula: As3CaCu1.35H1.40Mg0.36O12.70Zn1.64
  • Wyckoff Sequence: 15,f8e4a
  • Z Formula Units: 4
  • Density: ρ = 4.43 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1230772

  • 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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