Inorganic Solid Phases

(K0.9Na0.1)(Al1.05Fe0.16Fe0.77Mn0.05Li0.67)(Si3.09Al0.91)O10(OH)0.79F1.21 (K0.9Na0.1Li0.7FeAl2Si3O10[OH]0.8F1.2) Crystal Structure

General Information

  • Phase Label(s): K0.9Na0.1Li0.7FeAl2Si3O10[OH]0.8F1.2
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): polylithionite/siderophyllite 1M
  • Pearson Symbol: mS40
  • Space Group: 5
  • Phase Prototype: KLi2Al(Al0.025Si0.975)4O10F2
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P21 (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 atoms determined, least-squares refinement; 633 reflections; I > 2σ(I), R = 0.057; wR = 0.063
  • Sample Detail(s): zinnwaldite sample from Germany, Saxony, Sadisdorf mine, electron microprobe analysis; 40.70 wt.% SiO2, 21.95 wt.% Al2O3, 2.85 wt.% Fe2O3, 12.19 wt.% FeO, 9.29 wt.% K2O et al., single crystal (determination of cell parameters), single crystal, 0.05×0.3×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.9Na0.1Li0.7FeAl2Si3O10[OH]0.8F1.2
  • Alphabetic Formula: Al2F1.2FeK0.9Li0.7Na0.1O10[OH]0.8Si3
  • Published Formula: (K0.9Na0.1)(Al1.05Fe0.16Fe0.77Mn0.05Li0.67)(Si3.09Al0.91)O10(OH)0.79F1.21
  • Refined Formula: Al2F1.20FeH0.80K0.90Li0.70Na0.10O10.80Si3
  • Wyckoff Sequence: 5,c8ba3
  • Z Formula Units: 2
  • Density: ρ = 2.99 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615858

  • 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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