Inorganic Solid Phases

((NH4)3.30Ca0.05K0.05)[Si8.55Al3.45O24]·9.2H2O (K0.05[NH4]3.30Ca0.05Al3.45Si8.55O24[H2O]9.2) Crystal Structure

General Information

  • Phase Label(s): K0.05[NH4]3.30Ca0.05Al3.45Si8.55O24[H2O]9.2
  • Structure Class(es): zeolite CHA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR216
  • Space Group: 166
  • Phase Prototype: K0.05[NH4]3.30Ca0.05(Al0.29Si0.71)12O24[H2O]9.2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.1493; wRP = 0.1813
  • Sample Detail(s): chabazite sample from Canada, Nova Scotia, Two Islands, Wasson's Bluff, sample prepared from chabazite, NH4Cl, electron microprobe analysis, thermogravimetry; K0.05[NH4]3.30Ca0.05Al3.45Si8.55O24[H2O]9.2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.05[NH4]3.30Ca0.05Al3.45Si8.55O24[H2O]9.2
  • Alphabetic Formula: Al3.45Ca0.05[H2O]9.2K0.05[NH4]3.30O24Si8.55
  • Published Formula: ((NH4)3.30Ca0.05K0.05)[Si8.55Al3.45O24]·9.2H2O
  • Refined Formula: Al3.48H28.48N2.29O33.66Si8.52
  • Wyckoff Sequence: 166,i2h4g2feca
  • Z Formula Units: 3
  • Density: ρ = 1.90 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_1213917

  • 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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