Inorganic Solid Phases

gottardiite at 978 K; Na0.78K0.24Mg3.51Ca4.11Sr0.06Ba0.05Fe3+0.14Al17.47Si118.70O272·nH2O (K0.1Na0.4Ca2.4Mg1.7Al8.7Si59.3O136[H2O]46.2, T = 978 K) 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; France, Grenoble, European Synchrotron Radiation Facility ESRF, GILDA, BM08 (determination of structural parameters), X-rays, synchrotron; λ = 0.068881 nm (determination of cell and structural parameters), T = 978 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; 114 variables, RP = 0.0461; wRP = 0.0658
  • Sample Detail(s): gottardiite sample from Antarctica, Northern Victoria Land, Mt. Adamson, electron microprobe analysis; Na0.78K0.24Mg3.51Ca4.11Sr0.06Ba0.05Fe3+0.14Al17.47Si118.70O272[H2O]92.33 before heating, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.1Na0.4Ca2.4Mg1.7Al8.7Si59.3O136[H2O]46.2
  • Alphabetic Formula: Al8.7Ca2.4[H2O]46.2K0.1Mg1.7Na0.4O136Si59.3
  • Published Formula: gottardiite at 978 K; Na0.78K0.24Mg3.51Ca4.11Sr0.06Ba0.05Fe3+0.14Al17.47Si118.70O272·nH2O
  • Refined Formula: Al8.84Ca6.04O136Si59.16
  • Wyckoff Sequence: 64,g19f13e3d
  • Z Formula Units: 2
  • Density: ρ = 2.17 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_1125595

  • 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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