Inorganic Solid Phases

K1.60Na6.21Ca0.08Si8.44Al7.43O32 (KNa3Al4[SiO4]4) Crystal Structure

General Information

  • Phase Label(s): KNa3Al4[SiO4]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): nepheline
  • Pearson Symbol: hP60
  • Space Group: 173
  • Phase Prototype: K0.9(Na0.97Ca0.03)3Al4[SiO4]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 1191 reflections; F > 4σ(F), R = 0.0210; wR = 0.0275
  • Sample Detail(s): nepheline sample from Canada, Ontario, Bancroft, chemical analysis; 16.62 wt.% Na2O, 6.50 wt.% K2O, 0.39 wt.% CaO, 32.68 wt.% Al2O3, 43.79 wt.% SiO2, 0.02 wt.% Fe2O3, single crystal (determination of cell parameters), single crystal, 0.08×0.08×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.8Na3Al3.8Si0.2[SiO4]4
  • Alphabetic Formula: Al3.8K0.8Na3Si0.2[SiO4]4
  • Published Formula: K1.60Na6.21Ca0.08Si8.44Al7.43O32
  • Refined Formula: Al3.75K0.80Na3O15.99Si4.25
  • Wyckoff Sequence: 173,c9b2a
  • Z Formula Units: 2
  • Density: ρ = 2.65 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_1522849

  • 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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