Inorganic Solid Phases

(Na3.51K0.14Ca1.89Mg0.09Sr0.01)[Fe3+0.03Al7.40Si40.53O96]·27.26H2O (Na1.92Ca0.90Al3.72Si20.28O48[H2O]13.64) Crystal Structure

General Information

  • Phase Label(s): Na1.92Ca0.90Al3.72Si20.28O48[H2O]13.64
  • Structure Class(es): zeolite MOR
  • Classification by Properties:
  • Mineral Name(s): mordenite
  • Pearson Symbol: oS196
  • Space Group: 63
  • Phase Prototype: Na1.92Ca0.90(Al0.155Si0.845)24O48[H2O]13.64
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, GILDA, BM08 (determination of structural parameters), X-rays, synchrotron; λ = 0.095337 nm (determination of cell and structural parameters), T = 298 K (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; 102 variables, RP = 0.068; wRP = 0.092
  • Sample Detail(s): mordenite sample from India, Maharashtra State, Pune (Poona), Parshan, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.92Ca0.90Al3.72Si20.28O48[H2O]13.64
  • Alphabetic Formula: Al3.72Ca0.90[H2O]13.64Na1.92O48Si20.28
  • Published Formula: (Na3.51K0.14Ca1.89Mg0.09Sr0.01)[Fe3+0.03Al7.40Si40.53O96]·27.26H2O
  • Refined Formula: Al3.72Ca0.92H29.06Na1.92O62.53Si20.28
  • Wyckoff Sequence: 63,h5g7f2e2dc5b
  • Z Formula Units: 2
  • Density: ρ = 2.09 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_1820830

  • 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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