Inorganic Solid Phases

K0.02Cu1.125As0.94O5.515H4.06; CuAsO3(OH)·1.5H2O; K0.6Cu18[AsO2(OH)2]4[AsO3(OH)]10[AsO4](OH)9.6·18.6H2O (H18K0.6Cu18[AsO4]15[OH]9.6[H2O]18.6) Crystal Structure

General Information

  • Phase Label(s): H18K0.6Cu18[AsO4]15[OH]9.6[H2O]18.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pushcharovskite
  • Pearson Symbol: aP264
  • Space Group: 2
  • Phase Prototype: H18K0.6Cu18[AsO4]15[OH]9.6[H2O]18.6
  • Measurement Detail(s): automatic diffractometer; 8408 (determination of cell parameters), automatic diffractometer; United Kingdom, Cheshire, Daresbury Synchrotron Radiation Source, 9.8 station (determination of structural parameters), X-rays, synchrotron; λ = 0.068830 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 720 variables; 8343 reflections; I > 2σ(I), R = 0.054; wR = 0.113
  • Sample Detail(s): pushcharovskite sample from France, Var, Le Pradet, Cap Garonne mine, single crystal (determination of cell parameters), single crystal, 0.005×0.020×0.060 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H18K0.6Cu18[AsO4]15[OH]9.6[H2O]18.6
  • Alphabetic Formula: [AsO4]15Cu18H18[H2O]18.6K0.6[OH]9.6
  • Published Formula: K0.02Cu1.125As0.94O5.515H4.06; CuAsO3(OH)·1.5H2O; K0.6Cu18[AsO2(OH)2]4[AsO3(OH)]10[AsO4](OH)9.6·18.6H2O
  • Refined Formula: As15Cu18H64.82K0.63O88.20
  • Wyckoff Sequence: 2,i132
  • Z Formula Units: 2
  • Density: ρ = 3.24 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_1601697

  • 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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