Inorganic Solid Phases

(K0.83Na0.13)(Fe2+0.44Fe3+0.09Mg2.18Al0.05Ti0.23Mn0.01)(Al0.92Si3.08)O10.64(Cl0.01F1.35) (K0.86Na0.1Mg2.22Ti0.23Fe0.51Al0.95Si3.08O10.58F1.42) Crystal Structure

General Information

  • Phase Label(s): K0.86Na0.1Mg2.22Ti0.23Fe0.51Al0.95Si3.08O10.58F1.42
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): fluorophlogopite
  • 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 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 71 variables; 1686 reflections; I > 3σ(I), R = 0.0385; wR = 0.0415
  • Sample Detail(s): fluorophlogopite sample from Italy, Sicily, Etna area, Piano delle Concazze, electron microprobe analysis; (Si3.08(2)Al0.92(2))(Al0.03(2)Mg2.22(3)Fe2+0.44(7)Fe3+0.07(7)Ti0.23(1)Mn0.01(0))(K0.86(1)Na0.10(1))O10.58F1.41(4)Cl0.01(0), twinned crystal (determination of cell parameters), twinned crystal, 0.040×0.310×0.320 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.86Na0.1Mg2.22Ti0.23Fe0.51Al0.95Si3.08O10.58F1.42
  • Alphabetic Formula: Al0.95F1.42Fe0.51K0.86Mg2.22Na0.1O10.58Si3.08Ti0.23
  • Published Formula: (K0.83Na0.13)(Fe2+0.44Fe3+0.09Mg2.18Al0.05Ti0.23Mn0.01)(Al0.92Si3.08)O10.64(Cl0.01F1.35)
  • Refined Formula: F1.26Fe0.61K0.91Mg2.39O10.74Si3.94
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.98 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_1230582

  • 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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