Inorganic Solid Phases

K2CanNa2−nAl4+nSi12−nO32·12H2O (n≤2) (K2Na0.7Ca1.3Al5.3Si10.7O32[H2O]12, p = 1.25 GPa) Crystal Structure

General Information

  • Phase Label(s): K2Na0.7Ca1.3Al5.3Si10.7O32[H2O]12
  • Structure Class(es): zeolite PHI
  • Classification by Properties:
  • Mineral Name(s): phillipsite-K
  • Pearson Symbol: mP66
  • Space Group: 11
  • Phase Prototype: K2Ca1.65(Al0.33Si0.67)16O32[H2O]12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source NSLS, X7A (determination of structural parameters), X-rays, synchrotron; λ = 0.06474 nm (determination of cell and structural parameters), p = 1.25 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, Rietveld refinement; 73 variables, wRP = 0.0392
  • Sample Detail(s): phillipsite sample from Australia, Victoria, Melbourne, Richmond, electron microprobe analysis; (Na1.64K1.76Ca1.19)(Al5.80Si9.97)O32[H2O]12.47; 3.84 wt.% Na2O, 6.29 wt.% K2O, 5.06 wt.% CaO, 45.41 wt.% SiO2, 22.38 wt.% Al2O3, 17.02 wt.% H2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K2Na0.7Ca1.3Al5.3Si10.7O32[H2O]12
  • Alphabetic Formula: Al5.3Ca1.3[H2O]12K2Na0.7O32Si10.7
  • Published Formula: K2CanNa2−nAl4+nSi12−nO32·12H2O (n≤2)
  • Refined Formula: Al5.28Ca2.48H23.40K2O43.70Si10.72
  • Wyckoff Sequence: 11,f13e6a
  • Z Formula Units: 1
  • Density: ρ = 2.20 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_1323805

  • 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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