Inorganic Solid Phases

K2Ca4[Si7O18(OH)](F,OH) (K1.85Na0.15Ca3.48Ti0.13Mn0.08Fe0.16Si7O18[OH]1.39F0.61) Crystal Structure

General Information

  • Phase Label(s): K1.85Na0.15Ca3.48Ti0.13Mn0.08Fe0.16Si7O18[OH]1.39F0.61
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tokkoite
  • Pearson Symbol: aP66
  • Space Group: 2
  • Phase Prototype: K2NaCa2TiSi7O19[OH]
  • Measurement Detail(s): automatic diffractometer; 16 (determination of cell parameters), automatic diffractometer; Syntex P21 (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): complete structure determined, least-squares refinement; 262 variables; 906 reflections; I > 1.96σ(I), R = 0.032
  • Sample Detail(s): tokkoite sample from Russia, Sakha (Yakutia), Murun massif, chemical analysis; K1.85(Ca0.87Ti0.13)(Ca0.85Na0.15)(Ca1.71Fe0.15Mn0.08Mg0.06)(Si7O18[OH])[F0.61OH0.39], single crystal (determination of cell parameters), single crystal, 0.025×0.05×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.85Na0.15Ca3.48Ti0.13Mn0.08Fe0.16Si7O18[OH]1.39F0.61
  • Alphabetic Formula: Ca3.48F0.61Fe0.16K1.85Mn0.08Na0.15O18[OH]1.39Si7Ti0.13
  • Published Formula: K2Ca4[Si7O18(OH)](F,OH)
  • Refined Formula: Ca3.48F0.61Fe0.16H1.39K1.80Mn0.08Na0.15O19.39Si7Ti0.13
  • Wyckoff Sequence: 2,i33
  • Z Formula Units: 2
  • Density: ρ = 2.74 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1409366

  • 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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