Inorganic Solid Phases

(K0.91Na0.02Ba0.05)(Mg2.29Fe2+0.22Fe3+0.03Ti0.38Ni0.01Li0.01Na0.050.02)(Si3.00Al0.88Fe3+0.12)O10.74F0.87(OH)0.39 (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; Bruker AXS X8 APEX II (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; 68 variables; 775 reflections; I > 3σ(I), R = 0.0262; wR = 0.0271
  • Sample Detail(s): phlogopite sample from Brazil, Minas Gerais, Presidente Olegario, electron microprobe analysis; (K0.91(0)Na0.07(1)Ba0.05(0))(Mg2.30(1)Fe2+0.23(1)Fe3+0.04(0)Ti0.38(1)Ni0.01(1)Li0.01(0)0.05(1))(Si3.01(1)Al0.88(1)Fe3+0.11(0))O10.78F0.87(1)(OH)0.35(2), single crystal (determination of cell parameters), single crystal, 0.03×0.12×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.99Na0.1Mg2.3Ti0.38Fe0.37Al0.88Si3O10.74[OH]0.39F0.87
  • Alphabetic Formula: Al0.88F0.87Fe0.37K0.99Mg2.3Na0.1O10.74[OH]0.39Si3Ti0.38
  • Published Formula: (K0.91Na0.02Ba0.05)(Mg2.29Fe2+0.22Fe3+0.03Ti0.38Ni0.01Li0.01Na0.050.02)(Si3.00Al0.88Fe3+0.12)O10.74F0.87(OH)0.39
  • Refined Formula: Fe0.45KMg2.55O12Si4
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.98 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226050

  • 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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