Inorganic Solid Phases

(K,Na,Ca,Rb)(Fe,Al,Li,Mn,Mg)3(Si,Al)4O10(OH)F (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; 15 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (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; I > 3σ(I), R = 0.038; wR = 0.054
  • Sample Detail(s): protolithionite sample from U.S.A. Alaska, Seward Peninsula, Brooks Mountain, single crystal (determination of cell parameters), single crystal, 0.02×0.4×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.9Na0.1Li0.4Mn0.1Fe2Al1.5Si3O10[OH]F
  • Alphabetic Formula: Al1.5FFe2K0.9Li0.4Mn0.1Na0.1O10[OH]Si3
  • Published Formula: (K,Na,Ca,Rb)(Fe,Al,Li,Mn,Mg)3(Si,Al)4O10(OH)F
  • Refined Formula: Al1.49FFe2HK0.90Li0.36Mn0.09Na0.10O11Si3
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.18 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1618043

  • 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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