Inorganic Solid Phases

(K0.94Na0.05Ba0.01)(Mg2.23Al0.09Fe2+0.24Fe3+0.10Ti0.32Cr0.02)(Si2.91Al1.02Fe3+0.07)O10.76F0.02(OH)1.22 (KMg2FeAlSi3O11[OH]) Crystal Structure

General Information

  • Phase Label(s): KMg2FeAlSi3O11[OH]
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): phlogopite/siderophyllite 2M1
  • Pearson Symbol: mS80
  • Space Group: 15
  • Phase Prototype: NaAl2(Al0.25Si0.75)4O10[OH]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; 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): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 110 variables; 2168 reflections; I > 3σ(I), R = 0.0352; wR = 0.0389
  • Sample Detail(s): phlogopite sample from Uganda, Bunyaruguru kamafugite, electron microprobe analysis; 39.6(2) SiO2, 12.8(2) Al2O3, 20.3(2) MgO, 6.5(2) FeO, 5.70(7) TiO2, 0.35(2) Cr2O3, 0.06(5) NiO, 0.04(3) MnO, 0.03(3) SrO, 0.01(1) ZnO, 0.01(2) ZrO2, 10.00(2) K2O, 0.33(4) Na2O, 0.29(6) BaO, 0.07(5) F, 0.01(1) wt.% Cl, single crystal (determination of cell parameters), single crystal, 0.05×0.68×0.95 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KMg2.2Fe0.8AlSi3O10.8[OH]1.2
  • Alphabetic Formula: AlFe0.8KMg2.2O10.8[OH]1.2Si3
  • Published Formula: (K0.94Na0.05Ba0.01)(Mg2.23Al0.09Fe2+0.24Fe3+0.10Ti0.32Cr0.02)(Si2.91Al1.02Fe3+0.07)O10.76F0.02(OH)1.22
  • Refined Formula: Fe0.63H0.92KMg2.37O12Si4
  • Wyckoff Sequence: 15,f9ed
  • Z Formula Units: 4
  • Density: ρ = 2.97 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_1229201

  • 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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