Inorganic Solid Phases

Cu1.8K0.2Al3.9Si8.1O24 (K0.3Cu1.8Al3.9Si8.1O24) Crystal Structure

General Information

  • Phase Label(s): K0.3Cu1.8Al3.9Si8.1O24
  • Structure Class(es): zeolite CHA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR114
  • Space Group: 166
  • Phase Prototype: K0.3Cu1.8(Al0.325Si0.675)12O24
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 583 reflections; F2 > 3σ(F2), R = 0.057; wR = 0.060
  • Sample Detail(s): sample prepared from chabazite, CuCl2, electron microprobe analysis; Cu1.8K0.2Al3.9Si8.1O24, single crystal (determination of cell parameters), single crystal, 0.15×0.20×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.3Cu1.8Al3.9Si8.1O24
  • Alphabetic Formula: Al3.9Cu1.8K0.3O24Si8.1
  • Published Formula: Cu1.8K0.2Al3.9Si8.1O24
  • Refined Formula: Al3.90Cu1.82O24Si8.10
  • Wyckoff Sequence: 166,ih2gfc
  • Z Formula Units: 3
  • Density: ρ = 1.74 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1411597

  • 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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