Inorganic Solid Phases

(Si2.807Al1.159Fe3+0.034)(Mg1.982Fe3+0.313Fe2+0.404Mn0.011Ti0.128)(Na0.028K0.981)F0.127(OH)1.809O10.064 (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; 233 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (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; 57 variables; 639 reflections; I > 2σ(I), R = 0.0368; wR = 0.0798
  • Sample Detail(s): phlogopite 1M sample from Brazil, Minas Gerais, Tapira complex, electron microprobe analysis; (Si2.807Al1.159Fe3+0.034)(Mg1.982Fe3+0.313Fe2+0.404Mn0.011Ti0.128)(Na0.028K0.981)F0.127(OH)1.809O10.064, single crystal (determination of cell parameters), single crystal, 0.07×0.20×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.97Na0.03Mg1.98Ti0.13Fe0.76Al1.16Si2.81O10.06[OH]1.81F0.13
  • Alphabetic Formula: Al1.16F0.13Fe0.76[OH]1.81K0.97Mg1.98Na0.03O10.06Si2.81Ti0.13
  • Published Formula: (Si2.807Al1.159Fe3+0.034)(Mg1.982Fe3+0.313Fe2+0.404Mn0.011Ti0.128)(Na0.028K0.981)F0.127(OH)1.809O10.064
  • Refined Formula: Al0.04Fe0.70KMg2.30O12Si3.96
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.93 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
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_1239240

  • 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