Inorganic Solid Phases

(K0.952Na0.019Rb0.019)(Al1.034Li1.459Fe2+0.389Fe3+0.046Mn0.038Mg0.002Zn0.002Ti0.001)(Al0.477Si3.523)O10.081F1.735(OH)0.184 (K0.86Li1.65Mn0.06Fe0.01Al1.62Si3.62O10[OH]0.48F1.52) Crystal Structure

General Information

  • Phase Label(s): K0.86Li1.65Mn0.06Fe0.01Al1.62Si3.62O10[OH]0.48F1.52
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): polylithionite/trilithionite 2M1
  • Pearson Symbol: mS80
  • Space Group: 15
  • Phase Prototype: NaAl2(Al0.25Si0.75)4O10[OH]2
  • Measurement Detail(s): automatic diffractometer; 458 (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; 98 variables; 703 reflections; I > 2σ(I), R = 0.0358; wR = 0.0725
  • Sample Detail(s): polylithionite sample from United Kingdom, England, St. Austell, electron microprobe analysis, inductive coupled plasma method; (K0.952Na0.019Rb0.019)(Al1.034Li1.459Fe2+0.389Fe3+0.046Mn0.038Mg0.002Zn0.002Ti0.001)(Al0.477Si3.523)O10.081F1.735(OH)0.184, single crystal (determination of cell parameters), single crystal, 0.03×0.18×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi1.46Mn0.04Fe0.44Al1.51Si3.52O10.08[OH]0.18F1.74
  • Alphabetic Formula: Al1.51F1.74Fe0.44KLi1.46Mn0.04O10.08[OH]0.18Si3.52
  • Published Formula: (K0.952Na0.019Rb0.019)(Al1.034Li1.459Fe2+0.389Fe3+0.046Mn0.038Mg0.002Zn0.002Ti0.001)(Al0.477Si3.523)O10.081F1.735(OH)0.184
  • Refined Formula: Al1.46F1.78Fe0.51H0.22KLi1.52O10.22Si3.52
  • Wyckoff Sequence: 5,c8ba3
  • Z Formula Units: 2
  • Density: ρ = 2.91 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_1235553

  • 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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