Inorganic Solid Phases

K0.98Na0.02Mg0.70Ti0.16Mn0.03Fe2+1.46Al1.78Si2.72O10.25(OH)1.57F0.15Cl0.03 (KMg0.70Ti0.16Fe1.46Al1.78Si2.72O10.25[OH]1.60F0.15) Crystal Structure

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General Information

  • Phase Label(s): KMg0.70Ti0.16Fe1.46Al1.78Si2.72O10.25[OH]1.60F0.15
  • Structure Class(es): mica family
  • Classification by Properties: –
  • Mineral Name(s): annite 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; Siemens P4P (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; I > 5σ(I), R = 0.032
  • Sample Detail(s): biotite sample from Italy, Sardinia, Riu Morunzu, electron microprobe analysis; K0.98Na0.02Mg0.70Ti0.16Mn0.03Fe2+1.46Al1.78Si2.72Cl0.03O10.25[OH]1.57F0.15, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KMg0.70Ti0.16Fe1.46Al1.78Si2.72O10.25[OH]1.60F0.15
  • Alphabetic Formula: Al1.78F0.15Fe1.46KMg0.70O10.25[OH]1.60Si2.72Ti0.16
  • Published Formula: K0.98Na0.02Mg0.70Ti0.16Mn0.03Fe2+1.46Al1.78Si2.72O10.25(OH)1.57F0.15Cl0.03
  • Refined Formula: Al1.78F0.15Fe1.49H1.60K0.98Mg0.70O11.85Si2.72Ti0.16
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.09 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_1020310

  • 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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