Inorganic Solid Phases

(K + Na)3Cu20Al3Si29O76(OH)16·~8H2O; ajoite (K1.5Na1.5Cu20Al3Si29O76[OH]16[H2O]8) Crystal Structure

General Information

  • Phase Label(s): K1.5Na1.5Cu20Al3Si29O76[OH]16[H2O]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ajoite
  • Pearson Symbol: aP150
  • Space Group: 2
  • Phase Prototype: K1.5Na1.5Cu20Al3Si29O76[OH]16[H2O]8
  • Measurement Detail(s): automatic diffractometer; 863 (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, GSECARS (determination of structural parameters), X-rays, synchrotron; λ = 0.056954 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 12110 reflections; F > 4σ(F), R = 0.125
  • Sample Detail(s): ajoite sample from U.S.A. Arizona, Ajo mine, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.05×0.15×0.60 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.5Na1.5Cu20Al3Si29O76[OH]16[H2O]8
  • Alphabetic Formula: Al3Cu20[H2O]8K1.5Na1.5O76[OH]16Si29
  • Published Formula: (K + Na)3Cu20Al3Si29O76(OH)16·~8H2O; ajoite
  • Refined Formula: Al3Cu20H8KO96Si29
  • Wyckoff Sequence: 2,i75
  • Z Formula Units: 1
  • Density: ρ = 2.94 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1925105

  • 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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