Inorganic Solid Phases

Na0.86K10.63[Al11.88Si20.12O63.80]; merlinoite at 225 °C (K10.9Na0.9Al11.8Si20.2O64 mer, T = 498 K) Crystal Structure

General Information

  • Phase Label(s): K10.9Na0.9Al11.8Si20.2O64 mer
  • Structure Class(es): zeolite MER
  • Classification by Properties:
  • Mineral Name(s): merlinoite
  • Pearson Symbol: tP122
  • Space Group: 137
  • Phase Prototype: K10.9Na0.9(Al0.37Si0.63)32O64
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 498 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 80 variables; 704 reflections; I > 2σ(I), R = 0.0540; wR = 0.1437
  • Sample Detail(s): merlinoite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Koashva, sample prepared from merlinoite, electron microprobe analysis; Na0.86K10.63[Al11.88Si20.12O63.80][H2O]x at rt, single crystal (determination of cell parameters), single crystal, 0.20×0.25×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K10.9Na0.9Al11.8Si20.2O64
  • Alphabetic Formula: Al11.8K10.9Na0.9O64Si20.2
  • Published Formula: Na0.86K10.63[Al11.88Si20.12O63.80]; merlinoite at 225 °C
  • Refined Formula: Al11.84K11.07O64Si20.16
  • Wyckoff Sequence: 137,h5g4dcb
  • Z Formula Units: 1
  • Density: ρ = 2.27 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_1235403

  • 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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