Inorganic Solid Phases

(K,Na)(Mg,Ti,Fe)3(Si3Al)O10(OH,F)2 (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; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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; 609 reflections; I > 5σ(I), R = 0.034
  • Sample Detail(s): mica group sample from Italy, Alps, Trentino-Alto Adige, electron microprobe analysis; (Si5.305Al2.695)(Al0.232Fe3+0.93Fe2+0.835Mg3.703Mn0.018Ti0.282)(Na0.163K1.762Ca0.003Ba0.072)[OH]2.851F0.033O21.116, single crystal (determination of cell parameters), single crystal, 0.02×0.18×0.27 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.915Na0.085Mg1.858Ti0.141Fe0.885Al1.464Si2.652O10.557[OH]1.426F0.017
  • Alphabetic Formula: Al1.464F0.017Fe0.885K0.915Mg1.858Na0.085O10.557[OH]1.426Si2.652Ti0.141
  • Published Formula: (K,Na)(Mg,Ti,Fe)3(Si3Al)O10(OH,F)2
  • Refined Formula: Al1.51F0.02Fe0.89H1.43K0.92Mg1.86Na0.09O11.98Si2.60Ti0.14
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.99 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_1618061

  • 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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