Inorganic Solid Phases

K1.879Na0.040Li1.882Mn0.126Fe2+1.219Fe3+0.235Al3.483Si6.616O20.206[OH]0.487F3.307 (K0.94Na0.04Li0.86Mn0.06Fe0.89Al1.65Si3.23O9.93[OH]0.15F1.92 1M) Crystal Structure

General Information

  • Phase Label(s): K0.94Na0.04Li0.86Mn0.06Fe0.89Al1.65Si3.23O9.93[OH]0.15F1.92 1M
  • 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 = 0.0378
  • Sample Detail(s): mica group sample from U.S.A. Colorado, Pike's Peak, Sentinel Rock, electron microprobe analysis; Rb0.008K1.879Na0.040Li1.882Mg0.017Zn0.004Ti0.011Mn0.126Fe2+1.219Fe3+0.235Al3.483Si6.616O20.206[OH]0.487F3.307, single crystal (determination of cell parameters), single crystal, 0.01×0.06×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.94Na0.02Li0.94Mn0.06Fe0.73Al1.74Si3.31O10.10[OH]0.24F1.66
  • Alphabetic Formula: Al1.74F1.66Fe0.73K0.94Li0.94Mn0.06Na0.02O10.10[OH]0.24Si3.31
  • Published Formula: K1.879Na0.040Li1.882Mn0.126Fe2+1.219Fe3+0.235Al3.483Si6.616O20.206[OH]0.487F3.307
  • Refined Formula: Al1.72F1.66Fe0.73H0.24K0.98Li0.95Mg0.01Mn0.06Na0.02O10.34Si3.31
  • Wyckoff Sequence: 5,c8ba3
  • Z Formula Units: 2
  • Density: ρ = 2.96 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_1020298

  • 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