Inorganic Solid Phases

K0.88Li0.23Mg1.44Ti0.23Fe1.12Al1.37Si2.59O10[OH]1.4F0.18 Crystal Structure

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General Information

  • Phase Label(s): K0.88Li0.23Mg1.44Ti0.23Fe1.12Al1.37Si2.59O10[OH]1.4F0.18
  • Structure Class(es): mica family
  • Classification by Properties: –
  • Mineral Name(s): annite 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; Nonius KAPPA (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, 556 reflections; I > 3σ(I), R = 0.0374; wR = 0.0387
  • Sample Detail(s): mica group sample from Italy, Apennines, Basilicata, La Cupa, Monte Vulture, electron microprobe analysis, inductive coupled plasma method; 33.47 wt.% SiO2, 15.00 wt.% Al2O3, 12.48 wt.% MgO, 17.26 wt.% FeO, 4.04 wt.% TiO2, 8.73 wt.% K2O et al., single crystal (determination of cell parameters), single crystal, 0.03×0.15×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.88Li0.23Mg1.44Ti0.23Fe1.12Al1.37Si2.59O10[OH]1.4F0.18
  • Alphabetic Formula: Al1.37F0.18Fe1.12K0.88Li0.23Mg1.44O10[OH]1.4Si2.59Ti0.23
  • Published Formula: K0.88Li0.23Mg1.44Ti0.23Fe1.12Al1.37Si2.59O10[OH]1.4F0.18
  • Refined Formula: Al1.36F0.22Fe1.16H1.78KLi0.22Mg1.44O11.78Si2.60Ti0.22
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.95 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_1616285

  • 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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