Inorganic Solid Phases

(K0.86Na0.08Ba0.04)(Mg1.97Al0.17Mn0.01Fe2+0.29Fe3+0.37Ti0.19)(Si2.72Al1.28)O10.66(OH)1.22F0.12 (K0.9Na0.1Mg2Ti0.2Fe0.7Al1.4Si2.7O10.7[OH]1.2F0.1, T = 873 K) 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; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1594 nm (determination of cell and structural parameters), T = 873 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 58 variables, RP = 0.0136; wRP = 0.0176
  • Sample Detail(s): phlogopite sample from Italy, Apennines, Basilicata, La Cupa, Monte Vulture, San Antonio quarry, electron microprobe analysis, Mössbauer spectroscopy; (K0.86Na0.08Ba0.04)(Mg1.97Al0.17Mn0.01Fe2+0.29Fe3+0.37Ti0.19)(Si2.72Al1.28)O10.66[OH]1.22F0.12, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.9Na0.12Mg1.97Ti0.19Fe0.67Al1.45Si2.72O10.66[OH]1.22F0.12
  • Alphabetic Formula: Al1.45F0.12Fe0.67K0.9Mg1.97Na0.12O10.66[OH]1.22Si2.72Ti0.19
  • Published Formula: (K0.86Na0.08Ba0.04)(Mg1.97Al0.17Mn0.01Fe2+0.29Fe3+0.37Ti0.19)(Si2.72Al1.28)O10.66(OH)1.22F0.12
  • Refined Formula: Al1.45Fe0.66H1.24KMg1.97Mn0.01O12Si2.72Ti0.19
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.88 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223533

  • 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