Inorganic Solid Phases

KMg1.5Ti0.4Fe0.9Al1.3Si2.7O10.1[OH]1.8F0.1 (KMg1.4Ti0.2Fe1.2Al1.2Si2.8O10.3[OH]1.4F0.3) 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; 25 (determination of cell parameters), automatic diffractometer (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; 361 reflections; I > 5σ(I), R = 0.023
  • Sample Detail(s): biotite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; 36.41 wt.% SiO2, 14.38 wt.% Al2O3, 6.89 wt.% TiO2, 15.00 wt.% FeO, 13.18 wt.% MgO, 9.55 wt.% K2O, 0.30 wt.% F, single crystal (determination of cell parameters), single crystal, 0.01×0.09×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KMg1.5Ti0.4Fe0.9Al1.3Si2.7O10.1[OH]1.8F0.1
  • Alphabetic Formula: Al1.3F0.1Fe0.9KMg1.5O10.1[OH]1.8Si2.7Ti0.4
  • Published Formula: KMg1.5Ti0.4Fe0.9Al1.3Si2.7O10.1[OH]1.8F0.1
  • Refined Formula: Al1.27F0.06Fe0.95H1.80KMg1.51O11.94Si2.73Ti0.40
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.03 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_1616929

  • 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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