Inorganic Solid Phases

calcium-hydrogen mordenite (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; Syntex P21 (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, least-squares refinement; 1192 reflections; F > 2σ(F), R = 0.082; wR = 0.072
  • Sample Detail(s): mordenite sample from U.S.A. Idaho, Challis Valley, sample prepared from Na4.2K0.2Ca1.6Al8.5Si39.5O96, HCl, electron microprobe analysis; Na0.2K0.1Ca1.8Al8.5Si39.5O96, single crystal (determination of cell parameters), powder, 0.08×0.08×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2.3K0.05Na0.1Ca0.9Al4.25Si19.75O48
  • Alphabetic Formula: Al4.25Ca0.9H2.3K0.05Na0.1O48Si19.75
  • Published Formula: calcium-hydrogen mordenite
  • Refined Formula: Al4.32Ca0.70O48Si19.68
  • Wyckoff Sequence: 63,h5g5edc2a
  • Z Formula Units: 2
  • Density: ρ = 1.79 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1323871

  • 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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