Inorganic Solid Phases

Na2.5K0.2Mg3.1Ca4.9Al18.8Si117.2O272·93H2O (K0.1Na0.4Ca2.4Mg1.7Al8.7Si59.3O136[H2O]46.2) Crystal Structure

General Information

  • Phase Label(s): K0.1Na0.4Ca2.4Mg1.7Al8.7Si59.3O136[H2O]46.2
  • Structure Class(es): zeolite NES
  • Classification by Properties:
  • Mineral Name(s): gottardiite
  • Pearson Symbol: oS440
  • Space Group: 64
  • Phase Prototype: K0.1Na0.4Ca2.4Mg1.7(Al0.13Si0.87)68O136[H2O]46.2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays, Mo Kα (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; 2326 reflections; I > 4σ(I), R = 0.1195; wR = 0.0968
  • Sample Detail(s): gottardiite sample from Antarctica, Victoria Land, electron microprobe analysis, thermogravimetry; Na2.53K0.17Mg3.13Ca4.84Sr0.04Ba0.02Fe0.13Al18.75Si117.17O272[H2O]92.80, single crystal (determination of cell parameters), single crystal, 0.02×0.12×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Na1.3Ca2.45Mg1.55Al9.4Si58.6O136[H2O]46.5
  • Alphabetic Formula: Al9.4Ca2.45[H2O]46.5K0.1Mg1.55Na1.3O136Si58.6
  • Published Formula: Na2.5K0.2Mg3.1Ca4.9Al18.8Si117.2O272·93H2O
  • Refined Formula: Al10.20H66.80O169.40Si57.80
  • Wyckoff Sequence: 64,g23f18e3d
  • Z Formula Units: 2
  • Density: ρ = 2.16 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]

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_1005017

  • 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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