Inorganic Solid Phases

K0.725Na0.082Li0.083Ba0.002Mg2.878Fe2+0.072Ti0.055Mn0.009Al0.782Si3.163O10(OH)0.074F1.899Cl0.002 (K0.97Na0.03Li0.52Mg2.14Fe0.34Al0.6Si3.4O10[OH]0.8F1.2) Crystal Structure

General Information

  • Phase Label(s): K0.97Na0.03Li0.52Mg2.14Fe0.34Al0.6Si3.4O10[OH]0.8F1.2
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): 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 (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; 69 variables; 728 reflections; I > 3σ(I), R = 0.0350; wR = 0.086
  • Sample Detail(s): mica group sample from Italy, Sicily, Etna area, Biancavilla, Monte Calvario, electron microprobe analysis; K0.725(9)Na0.082(40)Li0.083(4)Ba0.002(1)Mg2.878(23)Fe2+0.072(4)Ti0.055(3)Mn0.009(2)Al0.782(14)Si3.163(13)O10[OH]0.074(8)F1.899(50)Cl0.002(1), single crystal (determination of cell parameters), single crystal, 0.015×0.166×0.300 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.72Na0.08Li0.08Mg2.89Fe0.07Al0.8Si3.2O10[OH]0.1F1.9
  • Alphabetic Formula: Al0.8F1.9Fe0.07K0.72Li0.08Mg2.89Na0.08O10[OH]0.1Si3.2
  • Published Formula: K0.725Na0.082Li0.083Ba0.002Mg2.878Fe2+0.072Ti0.055Mn0.009Al0.782Si3.163O10(OH)0.074F1.899Cl0.002
  • Refined Formula: Al0.78Cl0F1.92Fe0.07H0.07K0.72Li0.08Mg2.87Mn0.01Na0.08O10.07Si3.15Ti0.05
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.82 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1216833

  • 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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