Inorganic Solid Phases

(K0.94Na0.04Ba0.01)(Mg2.16Al0.13Fe2+0.25Fe3+0.10Ti0.33Cr0.02)(Si2.96Al0.96Fe3+0.07)O10.83F0.02(OH)1.15 (KMg2FeAlSi3O11[OH]) Crystal Structure

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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; 2532 reflections; I > 3σ(I), R = 0.0292; wR = 0.0308
  • Sample Detail(s): phlogopite sample from Uganda, Bunyaruguru kamafugite, electron microprobe analysis; 39.3(3) SiO2, 12.3(1) Al2O3, 19.3(1) MgO, 6.59(9) FeO, 5.82(9) TiO2, 0.34(4) Cr2O3, 0.08(2) NiO, 0.03(1) MnO, 0.04(6) SrO, 0.01(1) ZrO2, 9.82(9) K2O, 0.30(3) Na2O, 0.34(5) BaO, 0.09(7) F, 0.01(1) wt.% Cl, single crystal (determination of cell parameters), single crystal, 0.04×0.49×0.50 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: (K0.94Na0.04Ba0.01)(Mg2.16Al0.13Fe2+0.25Fe3+0.10Ti0.33Cr0.02)(Si2.96Al0.96Fe3+0.07)O10.83F0.02(OH)1.15
  • Refined Formula: Fe0.64H1.12KMg2.36O12Si4
  • Wyckoff Sequence: 15,f9ed
  • Z Formula Units: 4
  • Density: ρ = 2.97 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
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_1229202

  • 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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