Inorganic Solid Phases

KNa2(Mg4Fe3+)Si8O22F2 (KNa2Mg4FeSi8O22[OH]F) Crystal Structure

General Information

  • Phase Label(s): KNa2Mg4FeSi8O22[OH]F
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fluoro-potassic-magnesio-arfvedsonite
  • 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; Bruker AXS SMART APEX (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, full-matrix least-squares refinement on F; 2066 reflections, R = 0.0261
  • Sample Detail(s): fluoro-potassic-magnesio-arfvedsonite sample from Mozambique, Xixano region, Monte Metocha, electron microprobe analysis; K0.98(Na1.81Ca0.18)(Mg3.07Fe2+0.83Mn0.04Al0.01Fe3+0.90Ti0.12Zn0.01)Si8O22(F1.03[OH]0.73O0.24), single crystal (determination of cell parameters), single crystal, 0.02×0.04×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KNa2Mg4FeSi8O22[OH]F
  • Alphabetic Formula: FFeKMg4Na2O22[OH]Si8
  • Published Formula: KNa2(Mg4Fe3+)Si8O22F2
  • Refined Formula: Al0.01Ca0.19F1.03Fe1.73H0.80K0.99Mg3.09Mn0.04Na1.81O22.97Si8Ti0.12Zn0.01
  • Wyckoff Sequence: 12,j7i3h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.09 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1225348

  • 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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