Inorganic Solid Phases

K1.997Na0.029Li0.163Mg0.003Ti0.216Mn0.157Fe2+4.443Fe3+0.318Al2.510Si6.187O21.489[OH]0.337F2.174 (KLi0.08Ti0.11Mn0.08Fe2.38Al1.25Si3.09O10.74[OH]0.17F1.09) Crystal Structure

General Information

  • Phase Label(s): KLi0.08Ti0.11Mn0.08Fe2.38Al1.25Si3.09O10.74[OH]0.17F1.09
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): ferroceladonite
  • 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; Siemens (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, least-squares refinement, R = 0.0359
  • Sample Detail(s): mica group sample from U.S.A. Colorado, Pike's Peak, Sentinel Rock, electron microprobe analysis; K1.997Na0.029Li0.163Mg0.003Ti0.216Mn0.157Fe2+4.443Fe3+0.318Al2.510Si6.187O21.489[OH]0.337F2.174, single crystal (determination of cell parameters), single crystal, 0.02×0.30×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi0.08Ti0.11Mn0.08Fe2.38Al1.25Si3.09O10.74[OH]0.17F1.09
  • Alphabetic Formula: Al1.25F1.09Fe2.38KLi0.08Mn0.08O10.74[OH]0.17Si3.09Ti0.11
  • Published Formula: K1.997Na0.029Li0.163Mg0.003Ti0.216Mn0.157Fe2+4.443Fe3+0.318Al2.510Si6.187O21.489[OH]0.337F2.174
  • Refined Formula: Al1.26F1.09Fe2.38H0.17KLi0.08Mn0.08O10.91Si3.09Ti0.11
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.30 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1020306

  • 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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