Inorganic Solid Phases

(K0.960Na0.020Ba0.001)(Fe2+2.102Fe3+0.425Cr3+0.002Mg0.039Li0.085Ti0.210Mn0.057)(Al0.674Si3.326)O10(F1.060OH0.028O0.912) (KLi0.09Ti0.21Mn0.06Fe2.57Al0.67Si3.33O10.91[OH]0.03F1.06) Crystal Structure

General Information

  • Phase Label(s): KLi0.09Ti0.21Mn0.06Fe2.57Al0.67Si3.33O10.91[OH]0.03F1.06
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): fluorannite
  • 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 X8 SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1559 reflections; I > 2σ(I), R = 0.0384
  • Sample Detail(s): fluorannite sample from Russia, Transbaikal (Zabaikale), Katugin deposit, single crystal (determination of cell parameters), single crystal, 0.015×0.105×0.130 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi0.09Ti0.21Mn0.06Fe2.57Al0.67Si3.33O10.91[OH]0.03F1.06
  • Alphabetic Formula: Al0.67F1.06Fe2.57KLi0.09Mn0.06O10.91[OH]0.03Si3.33Ti0.21
  • Published Formula: (K0.960Na0.020Ba0.001)(Fe2+2.102Fe3+0.425Cr3+0.002Mg0.039Li0.085Ti0.210Mn0.057)(Al0.674Si3.326)O10(F1.060OH0.028O0.912)
  • Refined Formula: Al0.68F1.06Fe2.64H0.03K0.98Li0.09Mn0.06Na0.02O10.94Si3.32Ti0.21
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.36 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_1627600

  • 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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