Inorganic Solid Phases

|Na0.8K0.3Mg0.4Ca8.0(H2O)67|[Al18.0Si46.0O128] (K0.2Na0.4Ca4Mg0.2Al9Si23O64[H2O]33.5, T = 353 K) Crystal Structure

General Information

  • Phase Label(s): K0.2Na0.4Ca4Mg0.2Al9Si23O64[H2O]33.5
  • Structure Class(es): zeolite BEA
  • Classification by Properties:
  • Mineral Name(s): tschernichite Q
  • Pearson Symbol: mS240
  • Space Group: 15
  • Phase Prototype: K0.2Na0.4Ca4Mg0.2(Al0.28Si0.72)32O64[H2O]33.5
  • Measurement Detail(s): automatic diffractometer; 4163 (determination of cell parameters), automatic diffractometer; Bruker-Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 353 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 292 variables; 4163 reflections; I > 4σ(I), R = 0.130
  • Sample Detail(s): tschernichite sample from Antarctica, Northern Victoria Land, Mt. Adamson, sample prepared from tschernichite monoclinic, chemical analysis; (Na0.80K0.34Mg0.38Ca7.97Ba0.04[H2O]66.8)[Al18.01Si46.01O128], single crystal (determination of cell parameters), single crystal, 0.06×0.29×0.36 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.2Na0.4Ca4Mg0.2Al9Si23O64[H2O]33.5
  • Alphabetic Formula: Al9Ca4[H2O]33.5K0.2Mg0.2Na0.4O64Si23
  • Published Formula: |Na0.8K0.3Mg0.4Ca8.0(H2O)67|[Al18.0Si46.0O128]
  • Refined Formula: Al8.99Ca3.80H17.80Mg0.36O72.90Si23.01
  • Wyckoff Sequence: 15,f36e3
  • Z Formula Units: 2
  • Density: ρ = 2.10 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]

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_1627588

  • 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