Inorganic Solid Phases

(Na15.83K0.40)(Al16.21Si23.78)O80·nH2O (K0.1Na3.95Al4.05Si5.95O20[H2O]3.75) Crystal Structure

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General Information

  • Phase Label(s): K0.1Na3.95Al4.05Si5.95O20[H2O]3.75
  • Structure Class(es): zeolite NAT
  • Classification by Properties: –
  • Mineral Name(s): natrolite O
  • Pearson Symbol: oF168
  • Space Group: 43
  • Phase Prototype: (Na0.5Ca0.5)2.67Al4Si6O20[H2O]5.8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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): complete structure determined, full-matrix least-squares refinement on F2; 106 variables; 3671 reflections; F > 4σ(F), R = 0.021; wR = 0.039
  • Sample Detail(s): natrolite sample from Russia, Kola Peninsula, Khibiny massif, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Na3.95Al4.05Si5.95O20[H2O]3.75
  • Alphabetic Formula: Al4.05[H2O]3.75K0.1Na3.95O20Si5.95
  • Published Formula: (Na15.83K0.40)(Al16.21Si23.78)O80·nH2O
  • Refined Formula: Al4H7.68K0.12Na3.90O23.84Si6
  • Wyckoff Sequence: 43,b10a
  • Z Formula Units: 4
  • Density: ρ = 2.24 Mg·m−3
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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_1201362

  • 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)

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