Inorganic Solid Phases

Na6.2K0.46[Be2Al2.66Si15.34O39F2] (K0.46Na6.2Be2Al2.66Si15.34O39F2, T = 120 K) Crystal Structure

General Information

  • Phase Label(s): K0.46Na6.2Be2Al2.66Si15.34O39F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): leifite
  • Pearson Symbol: hP69
  • Space Group: 164
  • Phase Prototype: Na6Be2(Al0.33Si0.67)6Si12O39[OH]2[H2O]1.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D20 (determination of structural parameters), neutrons; λ = 0.187 nm (determination of cell and structural parameters), T = 120 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0071; wRP = 0.0097
  • Sample Detail(s): leifite sample from Greenland, South Greenland, Gardar province, electron microprobe analysis; Na6(K0.46Na0.30Cs0.01)(Si15.7Al2.1Be2)O38.95F2.05, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.46Na6.2Be2Al2.66Si15.34O39F2
  • Alphabetic Formula: Al2.66Be2F2K0.46Na6.2O39Si15.34
  • Published Formula: Na6.2K0.46[Be2Al2.66Si15.34O39F2]
  • Refined Formula: Al2.66Be2F2K0.46Na6.20O39Si15.34
  • Wyckoff Sequence: 164,j2i4hged2ba
  • Z Formula Units: 1
  • Density: ρ = 2.60 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_1224907

  • 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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