Inorganic Solid Phases

K2NaFe2+7Ti2(Si4O12)2O2(OH)4F, Sn-rich (K2NaTi1.4Fe7Sn0.6Si8O26[OH]4F, T = 303(2) K) Crystal Structure

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General Information

  • Phase Label(s): K2NaTi1.4Fe7Sn0.6Si8O26[OH]4F
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): astrophyllite A
  • Pearson Symbol: aP55
  • Space Group: 2
  • Phase Prototype: K2Na(Ti0.7Sn0.3)2Fe7Si8O26[OH]4F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 303(2) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 3852 reflections, R = 0.0347; wR = 0.0900
  • Sample Detail(s): astrophyllite sample from Malawi (Nyasaland), Zomba-Malosa complex, electron microprobe analysis; [(K1.70Ca0.04Cs0.03Pb0.01)(Na0.96Ca0.04)(Fe2+6.18Mn0.45Fe3+0.26Ca0.09Zn0.02)(Ti0.74Sn0.62Nb0.44Zr0.16Ta0.02Mg0.02)(Si7.75Al0.16)O24]O2([OH]4.356F0.65], single crystal (determination of cell parameters), single crystal, 0.025×0.03×0.46 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2NaTi1.4Fe7Sn0.6Si8O26[OH]4F
  • Alphabetic Formula: FFe7K2NaO26[OH]4Si8Sn0.6Ti1.4
  • Published Formula: K2NaFe2+7Ti2(Si4O12)2O2(OH)4F, Sn-rich
  • Refined Formula: Ca0.17Cs0.03FFe6.44H4K1.70Mg0.02Mn0.45Na0.96Nb0.44O30Pb0.01Si8Sn0.62Ta0.02Ti0.74Zn0.02Zr0.16
  • Wyckoff Sequence: 2,i26gda
  • Z Formula Units: 1
  • Density: ρ = 3.43 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_1225141

  • 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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