Inorganic Solid Phases

(K1.96Na0.13Ca0.01)(Mg3.15Fe2+2.59Ti0.17Mn0.09)(Si5.98Al1.92Ti0.10)O20[(OH)1.47F1.98] (K0.9Na0.1Mg2Ti0.2Fe0.7Al1.4Si2.7O10.7[OH]1.2F0.1) Crystal Structure

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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; South Korea, Daejeon, Korea Atomic Energy Research Institute, HANARO reactor, HRPD (determination of structural parameters), neutrons; λ = 0.18438 nm (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; 47 variables, RP = 0.0486; wRP = 0.0639; RB = 0.0618
  • Sample Detail(s): biotite sample from Canada, Ontario, Bancroft, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.9Na0.1Mg1.5Ti0.1Fe1.2AlSi3O10[OH]0.8F
  • Alphabetic Formula: AlFFe1.2K0.9Mg1.5Na0.1O10[OH]0.8Si3Ti0.1
  • Published Formula: (K1.96Na0.13Ca0.01)(Mg3.15Fe2+2.59Ti0.17Mn0.09)(Si5.98Al1.92Ti0.10)O20[(OH)1.47F1.98]
  • Refined Formula: Al0.96Ca0.01F0.98Fe0.86H0.74K1.93Mg1.06Mn0.02Na0.06O10.74Si3Ti0.10
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.07 Mg·m−3
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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_1214203

  • 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)

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