Inorganic Solid Phases

{K,Na}[Fe2+1.90Fe3+0.48Al0.27Mg0.11Mn0.03Ti0.04]<Si2.55Al0.45>O10(OH,F,Cl) (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; STOE (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, 640 reflections, R = 0.0448; wR = 0.053
  • Sample Detail(s): biotite sample from, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KMg0.11Ti0.04Mn0.03Fe2.38Al1.72Si2.55O10[OH]1.79F0.07
  • Alphabetic Formula: Al1.72F0.07Fe2.38KMg0.11Mn0.03O10[OH]1.79Si2.55Ti0.04
  • Published Formula: {K,Na}[Fe2+1.90Fe3+0.48Al0.27Mg0.11Mn0.03Ti0.04]<Si2.55Al0.45>O10(OH,F,Cl)
  • Refined Formula: Al1.89Fe2.25H2KMg0.18Mn0.06O12Si2.56Ti0.06
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.20 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_1617831

  • 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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