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

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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; 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; 622 reflections; I > 5σ(I), R = 0.020
  • Sample Detail(s): mica group sample from Spain, Murcia, Jumilla, electron microprobe analysis; (Si5.878Al2.122)(Al0.017Fe3+0.365Fe2+0.127Mg4.653Mn0.01Ti0.829)(Na0.12K1.865Ba0.013)[OH]0.49F1.58O21.93, single crystal (determination of cell parameters), single crystal, 0.02×0.15×0.21 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.94Na0.06Mg2.329Ti0.415Fe0.247Al1.07Si2.939O10.965[OH]0.245F0.79
  • Alphabetic Formula: Al1.07F0.79Fe0.247K0.94Mg2.329Na0.06O10.965[OH]0.245Si2.939Ti0.415
  • Published Formula: (K,Na)(Mg,Ti,Fe)3(Si3Al)O10(OH,F)2
  • Refined Formula: Al1.13F0.79Fe0.25H0.24K0.94Mg2.33Na0.06O11.21Si2.88Ti0.41
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.96 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]

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_1618056

  • 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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