Inorganic Solid Phases

Na0.55K4.21Ca1.49Ba0.43Fe3+0.24Al9.31Si22.69O64·22.74H2O; K5Ca2[Al9Si23O64]·24H2O (K2.10Na0.28Ba0.22Ca0.74Fe0.12Al4.66Si11.34O32[H2O]11.37) Crystal Structure

General Information

  • Phase Label(s): K2.10Na0.28Ba0.22Ca0.74Fe0.12Al4.66Si11.34O32[H2O]11.37
  • Structure Class(es): zeolite MER
  • Classification by Properties:
  • Mineral Name(s): merlinoite
  • Pearson Symbol: oI176
  • Space Group: 71
  • Phase Prototype: K2.10Na0.28Ba0.22Ca0.74Fe0.12(Al0.29Si0.71)16O32[H2O]11.37
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (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; 617 reflections; I > 1σ(I), R = 0.022
  • Sample Detail(s): merlinoite sample from Italy, Latium, Rieti, Cupaello quarry, electron microprobe analysis; Na0.55K4.21Ca1.49Ba0.43Fe0.24Al9.31Si22.69O64[H2O]22.74, single crystal (determination of cell parameters), single crystal, 0.03×0.03×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2.10Na0.28Ba0.22Ca0.74Fe0.12Al4.66Si11.34O32[H2O]11.37
  • Alphabetic Formula: Al4.66Ba0.22Ca0.74Fe0.12[H2O]11.37K2.10Na0.28O32Si11.34
  • Published Formula: Na0.55K4.21Ca1.49Ba0.43Fe3+0.24Al9.31Si22.69O64·22.74H2O; K5Ca2[Al9Si23O64]·24H2O
  • Refined Formula: Al4.64Ba0.22Ca0.92H19.44K2.22Na0.34O41.72Si11.36
  • Wyckoff Sequence: 71,o5n2ml6ihgfeca
  • Z Formula Units: 2
  • Density: ρ = 2.19 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624213

  • 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