Inorganic Solid Phases

KCd0.426Ca0.428Mn0.146[Cu2+5(AsO4)4{As(OH)2O2}](H2O)2 (KCa0.428Cu5Cd0.426Mn0.146As[AsO4]4O2[OH]2[H2O]2) Crystal Structure

General Information

  • Phase Label(s): KCa0.428Cu5Cd0.426Mn0.146As[AsO4]4O2[OH]2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): andyrobertsite/calcioandyrobertsite
  • Pearson Symbol: mP68
  • Space Group: 11
  • Phase Prototype: KCa0.428Cu5Cd0.426Mn0.146As[AsO4]4O2[OH]2[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, oxide, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 2140 reflections; F > 5σ(F), R = 0.023; wR = 0.025
  • Sample Detail(s): andyrobertsite - calcio-andyrobertsite sample from Namibia, Tsumeb, Tsumeb mine, electron microprobe analysis; As5.05Cu4.85Zn0.02Cd0.43Mn0.15Ca0.43K1.02O22H6, single crystal (determination of cell parameters), single crystal, 0.015×0.25×0.34 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KCa0.428Cu5Cd0.426Mn0.146As[AsO4]4O2[OH]2[H2O]2
  • Alphabetic Formula: As[AsO4]4Ca0.428Cd0.426Cu5[H2O]2KMn0.146O2[OH]2
  • Published Formula: KCd0.426Ca0.428Mn0.146[Cu2+5(AsO4)4{As(OH)2O2}](H2O)2
  • Refined Formula: As5Ca0.43Cd0.43Cu5H6KMn0.15O22
  • Wyckoff Sequence: 11,f13e8
  • Z Formula Units: 2
  • Density: ρ = 4.01 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_1220859

  • 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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