Inorganic Solid Phases

~K2Ca1.5Na0.4Al5Si10O32·12H2O, K2Ca1.65Al5.3Si10.7O32·12H2O (K3.68Ca1.24Al6.16Si9.84O32[H2O]14) Crystal Structure

General Information

  • Phase Label(s): K3.68Ca1.24Al6.16Si9.84O32[H2O]14
  • Structure Class(es): zeolite PHI
  • Classification by Properties:
  • Mineral Name(s): phillipsite-K
  • Pearson Symbol: mP76
  • Space Group: 11
  • Phase Prototype: K3.68Ca1.24(Al0.38Si0.62)16O32[H2O]14
  • Measurement Detail(s): automatic diffractometer; 30 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1416 reflections, R = 0.063; wR = 0.057
  • Sample Detail(s): phillipsite sample from Italy, Latium, Casal Brunori, electron microprobe analysis; K2.0Ca1.7Na0.4Si10.6Al5.3O32[H2O]x, single crystal (determination of cell parameters), single crystal, 0.05×0.06×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2Ca1.65Al5.3Si10.7O32[H2O]12
  • Alphabetic Formula: Al5.3Ca1.65[H2O]12K2O32Si10.7
  • Published Formula: ~K2Ca1.5Na0.4Al5Si10O32·12H2O, K2Ca1.65Al5.3Si10.7O32·12H2O
  • Refined Formula: Al5.33Ca1.65H24K2O44Si10.67
  • Wyckoff Sequence: 11,f13e6a
  • Z Formula Units: 1
  • Density: ρ = 2.16 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1404648

  • 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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