Inorganic Solid Phases

(K0.969Ba0.018Na0.013)(Mg2.457Fe0.031Mn0.006Ca0.005Ti0.088Li0.225)(Si3.312Al0.042Fe3+0.646)O10F2 (K0.8Na0.1Li0.2Mg2.3Fe0.7Si3.3O10F2) Crystal Structure

General Information

  • Phase Label(s): K0.8Na0.1Li0.2Mg2.3Fe0.7Si3.3O10F2
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s):
  • 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 and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 625 reflections; I > 2σ(I), R = 0.030; wR = 0.030
  • Sample Detail(s): hendricksite sample from Italy, Latium, Rieti, Cupaello quarry, electron microprobe analysis; 44.43 wt.% SiO2, 22.11 wt.% MgO, 11.8 wt.% Fe2O3, 10.18 wt.% K2O et al., single crystal (determination of cell parameters), single crystal, 0.050×0.130×0.140 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.8Na0.1Li0.2Mg2.3Fe0.7Si3.3O10F2
  • Alphabetic Formula: F2Fe0.7K0.8Li0.2Mg2.3Na0.1O10Si3.3
  • Published Formula: (K0.969Ba0.018Na0.013)(Mg2.457Fe0.031Mn0.006Ca0.005Ti0.088Li0.225)(Si3.312Al0.042Fe3+0.646)O10F2
  • Refined Formula: F2Fe0.68KLi0.07Mg2.89Na0.04O10Si3.32
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.82 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615955

  • 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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