Inorganic Solid Phases

K2(Mg4.46Fe0.83Al0.34Ti0.22)(Si5.51Al2.49)O20[(OH)3.59F0.41] (KMg1.4Ti0.2Fe1.2Al1.2Si2.8O10.3[OH]1.4F0.3, T = 773 K) Crystal Structure

General Information

  • Phase Label(s): KMg1.4Ti0.2Fe1.2Al1.2Si2.8O10.3[OH]1.4F0.3
  • 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; South Korea, Daejeon, Korea Atomic Energy Research Institute, HANARO reactor, HRPD (determination of structural parameters), neutrons; λ = 0.1836 nm (determination of cell and structural parameters), T = 773 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; 45 variables, RP = 0.0339; wRP = 0.0434; RB = 0.0877
  • Sample Detail(s): phlogopite sample from Canada, Quebec, electron microprobe analysis; K2(Mg4.46Fe0.83Al0.34Ti0.22)(Si5.51Al2.49)O20([OH]3.59F0.41), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KMg2.2Ti0.1Fe0.4Al1.4Si2.8O10[OH]1.8F0.2
  • Alphabetic Formula: Al1.4F0.2Fe0.4KMg2.2O10[OH]1.8Si2.8Ti0.1
  • Published Formula: K2(Mg4.46Fe0.83Al0.34Ti0.22)(Si5.51Al2.49)O20[(OH)3.59F0.41]
  • Refined Formula: Al1.42F0.20Fe0.41H1.80KMg2.22O11.80Si2.76Ti0.12
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.85 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213801

  • 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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