Inorganic Solid Phases

K1.935Na0.031Li2.164Ca0.011Mg0.044Zn0.009Ti0.003Mn0.124Fe2+1.409Fe3+0.183Al3.423Si6.591O20.521[OH]0.373F3.106 (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 (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 = 0.0296
  • Sample Detail(s): mica group sample from U.S.A. Colorado, Pike's Peak, Sentinel Rock, electron microprobe analysis; K1.935Na0.031Li2.164Ca0.011Mg0.044Zn0.009Ti0.003Mn0.124Fe2+1.409Fe3+0.183Al3.423Si6.591O20.521[OH]0.373F3.106, single crystal (determination of cell parameters), single crystal, 0.016×0.12×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.97Li1.08Mg0.02Mn0.06Fe0.80Al1.71Si3.30O10.26[OH]0.19F1.55
  • Alphabetic Formula: Al1.71F1.55Fe0.80K0.97Li1.08Mg0.02Mn0.06O10.26[OH]0.19Si3.30
  • Published Formula: K1.935Na0.031Li2.164Ca0.011Mg0.044Zn0.009Ti0.003Mn0.124Fe2+1.409Fe3+0.183Al3.423Si6.591O20.521[OH]0.373F3.106
  • Refined Formula: Al1.71F1.55Fe0.79H0.19KLi1.07Mg0.02Mn0.06O10.45Si3.30
  • Wyckoff Sequence: 5,c8ba3
  • Z Formula Units: 2
  • Density: ρ = 2.98 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_1020294

  • 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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