Inorganic Solid Phases

Si2.81Al1.03Fe3+0.16Al0.72Fe2+1.18Fe3+0.04Mg0.72Ti0.13Mn0.01K0.95Na0.03(OH)1.56F0.04Cl0.01O10.39 (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; 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 = 0.033
  • Sample Detail(s): biotite sample from U.S.A. Maine, Bryant Pond, electron microprobe analysis; Si2.81Al1.03Fe3+0.16Al0.72Fe2+1.18Fe3+0.04Mg0.72Ti0.13Mn0.01K0.95Na0.03[OH]1.56F0.04Cl0.01O10.39, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.95Na0.03Mg0.72Ti0.13Fe1.38Al1.75Si2.81O10.39[OH]1.56F0.05
  • Alphabetic Formula: Al1.75F0.05Fe1.38K0.95Mg0.72Na0.03O10.39[OH]1.56Si2.81Ti0.13
  • Published Formula: Si2.81Al1.03Fe3+0.16Al0.72Fe2+1.18Fe3+0.04Mg0.72Ti0.13Mn0.01K0.95Na0.03(OH)1.56F0.04Cl0.01O10.39
  • Refined Formula: Al1.75Cl0.01F0.04Fe1.38H1.56K0.95Mg0.72Mn0.01Na0.03O11.95Si2.81Ti0.13
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.08 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_1221388

  • 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