Inorganic Solid Phases

(K0.992Na0.014)(Al0.980Li1.028Fe2+0.787Fe3+0.022Mn0.059Mg0.052Zn0.010Ti0.024)(Al0.857Si3.143)O10.095[F1.617(OH)0.288] (K0.98Li1.09Mg0.03Mn0.06Fe0.79Al1.69Si3.33O10.27[OH]0.19F1.54) Crystal Structure

General Information

  • Phase Label(s): K0.98Li1.09Mg0.03Mn0.06Fe0.79Al1.69Si3.33O10.27[OH]0.19F1.54
  • 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; 538 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, least-squares refinement; 100 variables; 754 reflections; I > 2σ(I), R = 0.0375; wR = 0.0662
  • Sample Detail(s): polylithionite sample from Greece, Chios Island, Profitis Ilias, electron microprobe analysis, inductive coupled plasma method; (K0.992Na0.014)(Al0.980Li1.028Fe2+0.787Fe3+0.022Mn0.059Mg0.052Zn0.010Ti0.024)(Al0.857Si3.143)O10.095[F1.617(OH)0.288], single crystal (determination of cell parameters), single crystal, 0.04×0.16×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi1.03Mg0.05Mn0.06Fe0.85Al1.84Si3.14O10.09[OH]0.29F1.62
  • Alphabetic Formula: Al1.84F1.62Fe0.85KLi1.03Mg0.05Mn0.06O10.09[OH]0.29Si3.14
  • Published Formula: (K0.992Na0.014)(Al0.980Li1.028Fe2+0.787Fe3+0.022Mn0.059Mg0.052Zn0.010Ti0.024)(Al0.857Si3.143)O10.095[F1.617(OH)0.288]
  • Refined Formula: Al1.85F1.62Fe0.88H0.38KLi1.13O10.38Si3.14
  • Wyckoff Sequence: 5,c8ba3
  • Z Formula Units: 2
  • Density: ρ = 3.02 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_1235554

  • 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

    Citation copied