Inorganic Solid Phases

(K0.91Na0.05Ba0.01)(Mg2.33Al0.08Fe2+0.20Fe3+0.08Ti0.26Cr0.05Ni0.01)(Si2.87Al1.06Fe3+0.06)O10.58F0.11(OH)1.31 (KMg1.4Ti0.2Fe1.2Al1.2Si2.8O10.3[OH]1.4F0.3) Crystal Structure

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General Information

  • Phase Label(s): KMg1.4Ti0.2Fe1.2Al1.2Si2.8O10.3[OH]1.4F0.3
  • 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 KAPPA 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): complete structure determined, least-squares refinement; 64 variables; 1485 reflections; I > 3σ(I), R = 0.0305; wR = 0.0374
  • Sample Detail(s): phlogopite sample from Uganda, East African Rift, Kasenyi, electron microprobe analysis; (K0.91Na0.05Ba0.01)(Mg2.33Al0.08Fe2+0.20Fe3+0.08Ti0.26Cr0.05Ni0.01)(Si2.87Al1.06Fe3+0.06)O10.58F0.11[OH]1.31, single crystal (determination of cell parameters), single crystal, 0.03×0.60×0.80 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KMg2.33Ti0.3Fe0.34Al1.14Si2.87O10.58[OH]1.31F0.11
  • Alphabetic Formula: Al1.14F0.11Fe0.34KMg2.33O10.58[OH]1.31Si2.87Ti0.3
  • Published Formula: (K0.91Na0.05Ba0.01)(Mg2.33Al0.08Fe2+0.20Fe3+0.08Ti0.26Cr0.05Ni0.01)(Si2.87Al1.06Fe3+0.06)O10.58F0.11(OH)1.31
  • Refined Formula: Fe0.61H1.28K0.99Mg2.39O12Si4
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.91 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_1229688

  • 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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