Inorganic Solid Phases

Si2.60Al1.27Fe3+0.13Al0.70Fe2+1.26Mg0.68Ti0.15Mn0.03Zn0.01K1.00Na0.01(OH)1.65F0.12O10.23 (KMg0.68Ti0.15Mn0.03Fe1.39Al1.97Si2.6O10.24[OH]1.64F0.12) Crystal Structure

General Information

  • Phase Label(s): KMg0.68Ti0.15Mn0.03Fe1.39Al1.97Si2.6O10.24[OH]1.64F0.12
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): annite/phlogopite 1M
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: K0.8(Mg0.87Mn0.03Fe0.07Al0.03)3(Al0.3Si0.7)4O10[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4P (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 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, least-squares refinement, R = 0.034
  • Sample Detail(s): biotite sample from U.S.A. Maine, Oquossoc, electron microprobe analysis; Si2.60Al1.27Fe3+0.13Al0.70Fe2+1.26Mg0.68Ti0.15Mn0.03Zn0.01K1.00Na0.01[OH]1.65F0.12O10.23, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KMg0.68Ti0.15Mn0.03Fe1.39Al1.97Si2.6O10.24[OH]1.64F0.12
  • Alphabetic Formula: Al1.97F0.12Fe1.39KMg0.68Mn0.03O10.24[OH]1.64Si2.6Ti0.15
  • Published Formula: Si2.60Al1.27Fe3+0.13Al0.70Fe2+1.26Mg0.68Ti0.15Mn0.03Zn0.01K1.00Na0.01(OH)1.65F0.12O10.23
  • Refined Formula: Al1.97F0.12Fe1.39H1.65K0.99Mg0.68Mn0.03Na0.01O11.88Si2.60Ti0.15Zn0.01
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.06 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_1221380

  • 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