Inorganic Solid Phases

(K0.95Na0.01)(Al0.15Mg1.27Fe2+1.16Fe3+0.04Ti4+0.38)(Si2.85Al1.15)O10.76F0.11Cl0.03(OH)1.10 (K0.95Mg1.27Ti0.38Fe1.2Al1.3Si2.85Cl0.03O10.76[OH]1.1F0.11) Crystal Structure

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General Information

  • Phase Label(s): K0.95Mg1.27Ti0.38Fe1.2Al1.3Si2.85Cl0.03O10.76[OH]1.1F0.11
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): phlogopite/siderophyllite
  • Pearson Symbol: aP40
  • Space Group: 2
  • Phase Prototype: K0.95Mg1.27Ti0.38Fe1.2Al1.3Si2.85Cl0.03O10.76[OH]1.1F0.11
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate, chloride, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 283 variables; 2318 reflections; I > 5σ(I), R = 0.0416; wR = 0.0474
  • Sample Detail(s): phlogopite sample from Australia, South Australia, Black Hills, electron microprobe analysis; (K0.95Na0.01)(Al0.15Mg1.27Fe2+1.16Fe3+0.04Ti4+0.38)(Si2.85Al1.15)O10.76F0.11Cl0.03[OH]1.10, single crystal (determination of cell parameters), single crystal, 0.03×0.23×0.48 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.95Mg1.27Ti0.38Fe1.2Al1.3Si2.85Cl0.03O10.76[OH]1.1F0.11
  • Alphabetic Formula: Al1.3Cl0.03F0.11Fe1.2K0.95Mg1.27O10.76[OH]1.1Si2.85Ti0.38
  • Published Formula: (K0.95Na0.01)(Al0.15Mg1.27Fe2+1.16Fe3+0.04Ti4+0.38)(Si2.85Al1.15)O10.76F0.11Cl0.03(OH)1.10
  • Refined Formula: Fe1.59KMg1.41O12Si3.99
  • Wyckoff Sequence: 1,a40
  • Z Formula Units: 2
  • Density: ρ = 3.08 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_1229301

  • 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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