Inorganic Solid Phases

Na0.04K0.93Al0.24Fe3+0.07Fe2+0.11Mg2.55Ti0.02Al1.35Si2.65O9.96[OH]1.95F0.09 (K0.9Na0.1Mg2Ti0.2Fe0.7Al1.4Si2.7O10.7[OH]1.2F0.1) Crystal Structure

General Information

  • Phase Label(s): K0.9Na0.1Mg2Ti0.2Fe0.7Al1.4Si2.7O10.7[OH]1.2F0.1
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): annite/phlogopite 1M
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: KMg3(Al0.25Si0.75)4O10([OH]0.5F0.5)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 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, full-matrix least-squares refinement; 513 reflections; I > 5σ(I), R = 0.028
  • Sample Detail(s): phlogopite sample from Italy, Alps, Trentino-Alto Adige, Predazzo, Canzoccoli, chemical analysis, electron microprobe analysis; 37.68 wt.% SiO2, 24.30 wt.% MgO, 19.10 wt.% Al2O3, 10.29 wt.% K2O, 4.15 wt.% H2O, 1.94 wt.% FeO, 1.40 wt.% Fe2O3, 0.38 wt.% F, 0.33 wt.% TiO2, 0.27 wt.% Na2O, 0.15 wt.% MnO, single crystal (determination of cell parameters), single crystal, 0.02×0.12×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.93Na0.04Mg2.55Ti0.02Fe0.18Al1.59Si2.65O9.96[OH]1.95F0.09
  • Alphabetic Formula: Al1.59F0.09Fe0.18K0.93Mg2.55Na0.04O9.96[OH]1.95Si2.65Ti0.02
  • Published Formula: Na0.04K0.93Al0.24Fe3+0.07Fe2+0.11Mg2.55Ti0.02Al1.35Si2.65O9.96[OH]1.95F0.09
  • Refined Formula: Al1.59F0.08Fe0.18H1.92K0.93Mg2.55Na0.04O11.92Si2.65Ti0.03
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.84 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
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_1813173

  • 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