Inorganic Solid Phases

(Na1.49K2.80Mg0.04Ca2.05Sr0.05)(Al8.98Si39.13)O96·29.07(H2O) (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; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, not specified; 1061 reflections; I > 3σ(I), wR = 0.052
  • Sample Detail(s): mordenite sample from Italy, Elba Island, electron microprobe analysis; (Na1.49K2.80Mg0.04Ca2.05Sr0.05)(Al8.98Si39.13)O96[H2O]29.07, single crystal, 0.06×0.06×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.5NaCaAl4.5Si19.5O48[H2O]14.5
  • Alphabetic Formula: Al4.5Ca[H2O]14.5K1.5NaO48Si19.5
  • Published Formula: (Na1.49K2.80Mg0.04Ca2.05Sr0.05)(Al8.98Si39.13)O96·29.07(H2O)
  • Refined Formula: Al4.80Ca0.96H37.04KO66.52Si19.20
  • Wyckoff Sequence: 36,b21a10
  • Z Formula Units: 2
  • 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
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2041411

  • 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)

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