Inorganic Solid Phases

(K0.2Na0.3)(K0.13Na0.37)(Ca1.44Sr0.01Na0.55)[(Mg1.82Fe3+0.18)(Mg1.03Fe2+0.56Ca0.21Mn2+0.04Ti0.16)(Mg0.89Fe3+0.11)][(Si2.94Al1.06)(Si4O22)]F2 (K0.33Na1.22Ca1.66Mg3.74Ti0.16Fe0.89Al1.06Si6.94O22F2) Crystal Structure

General Information

  • Phase Label(s): K0.33Na1.22Ca1.66Mg3.74Ti0.16Fe0.89Al1.06Si6.94O22F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): edenite
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: K0.3Na1.3Ca1.4Mg4.5Fe0.5(Al0.05Si0.95)8O22([OH]0.4F0.6)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of 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, R = 0.029
  • Sample Detail(s): edenite-(K,F) sample from Russia, Kola Peninsula, Khibiny massif, sample prepared from edenite-(K,F), chemical analysis; (Ca1.7Na1.18K0.33)(Mg3.77Fe2+0.53Mn0.04Fe3+0.32Ti0.17)[(Si6.88Al1.08)O22](O0.28OH0.15F1.28), single crystal (determination of cell parameters), single crystal, 0.35 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.33Na1.22Ca1.66Mg3.74Ti0.16Fe0.89Al1.06Si6.94O22F2
  • Alphabetic Formula: Al1.06Ca1.66F2Fe0.89K0.33Mg3.74Na1.22O22Si6.94Ti0.16
  • Published Formula: (K0.2Na0.3)(K0.13Na0.37)(Ca1.44Sr0.01Na0.55)[(Mg1.82Fe3+0.18)(Mg1.03Fe2+0.56Ca0.21Mn2+0.04Ti0.16)(Mg0.89Fe3+0.11)][(Si2.94Al1.06)(Si4O22)]F2
  • Refined Formula: Al1.06Ca1.65F2Fe0.85K0.33Mg3.74Mn0.04Na1.21O22Si6.94Sr0.01Ti0.16
  • Wyckoff Sequence: 12,j7i3h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.17 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_1721971

  • 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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