Inorganic Solid Phases

(Na2.2K2.6Ca1.6)[Al8Si40O96]·27.8H2O (K1.5NaCaAl4.5Si19.5O48[H2O]14.5) Crystal Structure

General Information

  • Phase Label(s): K1.5NaCaAl4.5Si19.5O48[H2O]14.5
  • Structure Class(es): zeolite MOR
  • Classification by Properties:
  • Mineral Name(s): mordenite
  • Pearson Symbol: oS208
  • Space Group: 36
  • Phase Prototype: K1.5NaCa(Al0.19Si0.81)24O48[H2O]14.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips (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): positions of non-H atoms determined, Rietveld refinement, RP = 0.074; wRP = 0.095
  • Sample Detail(s): mordenite sample from Italy, Ponza Island, electron microprobe analysis; 67.38 wt.% SiO2, 11.57 wt.% Al2O3, 2.85 wt.% CaO, 1.95 wt.% Na2O, 1.79 wt.% K2O et al., powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K1.3Na1.1Ca0.8Al4Si20O48[H2O]13.9
  • Alphabetic Formula: Al4Ca0.8[H2O]13.9K1.3Na1.1O48Si20
  • Published Formula: (Na2.2K2.6Ca1.6)[Al8Si40O96]·27.8H2O
  • Refined Formula: Al4.08Ca0.80H27.76K1.32Na1.12O61.88Si19.92
  • Wyckoff Sequence: 63,h6g7f2edc4
  • Z Formula Units: 2
  • Density: ρ = 2.14 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_1618132

  • 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

    Citation copied