Inorganic Solid Phases

K1.971Na0.028Li0.818Mg0.071Zn0.034Ti0.204Mn0.158Fe2+2.791Fe3+0.187Al3.507Si6.114O21.274[OH]0.567F2.159 (KLi0.41Ti0.10Mn0.13Fe1.49Al1.75Si3.06O10.64[OH]0.28F1.08) Crystal Structure

General Information

  • Phase Label(s): KLi0.41Ti0.10Mn0.13Fe1.49Al1.75Si3.06O10.64[OH]0.28F1.08
  • 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 (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (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, R = 0.0331
  • Sample Detail(s): mica group sample from U.S.A. Colorado, Pike's Peak, Sentinel Rock, electron microprobe analysis; K1.971Na0.028Li0.818Mg0.071Zn0.034Ti0.204Mn0.158Fe2+2.791Fe3+0.187Al3.507Si6.114O21.274[OH]0.567F2.159, single crystal (determination of cell parameters), single crystal, 0.02×0.14×0.50 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi0.41Ti0.10Mn0.13Fe1.49Al1.75Si3.06O10.64[OH]0.28F1.08
  • Alphabetic Formula: Al1.75F1.08Fe1.49KLi0.41Mn0.13O10.64[OH]0.28Si3.06Ti0.10
  • Published Formula: K1.971Na0.028Li0.818Mg0.071Zn0.034Ti0.204Mn0.158Fe2+2.791Fe3+0.187Al3.507Si6.114O21.274[OH]0.567F2.159
  • Refined Formula: Al1.73F1.08Fe1.48H0.28KLi0.42Mg0.05Mn0.08O10.92Si3.06Ti0.11
  • Wyckoff Sequence: 5,c8ba3
  • Z Formula Units: 2
  • Density: ρ = 3.15 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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1020303

  • 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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