Inorganic Solid Phases

K2NaFe7[Ti2Si8O26F](OH)4 (K2Na1.2Mg0.6Ti2Mn0.5Fe5.7Si8O26[OH]4.4F0.6) Crystal Structure

General Information

  • Phase Label(s): K2Na1.2Mg0.6Ti2Mn0.5Fe5.7Si8O26[OH]4.4F0.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): astrophyllite A
  • Pearson Symbol: aP51
  • Space Group: 2
  • Phase Prototype: K2NaTi2Fe7Si8O26[OH]4([OH]0.4F0.6)
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement; 3778 reflections; I > 2σ(I), R = 0.041
  • Sample Detail(s): astrophyllite sample from Russia, Kola Peninsula, Khibiny massif, electron microprobe analysis; Na2(K3.95Ba0.01Na0.04)(Fe2+1.52Fe3+0.48)(Fe2+2.00Mn1.04Ca0.76Na0.20)(Fe2+6.76Mg1.24)(Ti3.95Nb0.03Zr0.02)(F1.20OH0.80)[(Si15.70Al0.30)O48]O4[OH]8, single crystal (determination of cell parameters), single crystal, 0.1×0.15×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2Na1.2Mg0.6Ti2Mn0.5Fe5.7Si8O26[OH]4.4F0.6
  • Alphabetic Formula: F0.6Fe5.7K2Mg0.6Mn0.5Na1.2O26[OH]4.4Si8Ti2
  • Published Formula: K2NaFe7[Ti2Si8O26F](OH)4
  • Refined Formula: F0.60Fe5.74H4.40K1.97Mg0.64Mn0.52Na1.13O30.40Si8Ti2
  • Wyckoff Sequence: 2,i24gda
  • Z Formula Units: 1
  • Density: ρ = 3.29 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1012921

  • 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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