Inorganic Solid Phases

(Na0.96K0.04)(Na1.57Ca0.40Fe2+0.02Mn0.01)(Mg4.26Fe2+0.19Fe3+0.41Al0.11Ti0.03)(Si7.99Al0.01)O22[F0.02(OH)1.98] (K0.04Na2.53Ca0.4Mg4.26Ti0.03Fe0.63Al0.12Si7.99O22[OH]2) Crystal Structure

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General Information

  • Phase Label(s): K0.04Na2.53Ca0.4Mg4.26Ti0.03Fe0.63Al0.12Si7.99O22[OH]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): magnesio-arfvedsonite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 1135 reflections; I > 3σ(I), R = 0.025
  • Sample Detail(s): magnesio-arfvedsonite sample from Myanmar (Burma), Jade Mine Tract, electron microprobe analysis; (Na0.96K0.04)(Na1.57Ca0.40Fe2+0.02Mn0.01)(Mg4.26Fe2+0.19Fe3+0.41Al0.11Ti0.03)(Si7.99Al0.01)O22(F0.02[OH]1.98), single crystal (determination of cell parameters), single crystal, 0.05×0.08×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.04Na2.53Ca0.4Mg4.26Ti0.03Fe0.63Al0.12Si7.99O22[OH]2
  • Alphabetic Formula: Al0.12Ca0.4Fe0.63[OH]2K0.04Mg4.26Na2.53O22Si7.99Ti0.03
  • Published Formula: (Na0.96K0.04)(Na1.57Ca0.40Fe2+0.02Mn0.01)(Mg4.26Fe2+0.19Fe3+0.41Al0.11Ti0.03)(Si7.99Al0.01)O22[F0.02(OH)1.98]
  • Refined Formula: Al0.12Ca0.40Fe0.62H1.46K0.14Mg4.25Mn0.01Na2.35O24Si8Ti0.03
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.04 Mg·m−3
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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_1237623

  • 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)

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