Inorganic Solid Phases

NaNa2(Mg2Fe3+2Li)Si8O22(OH)2 (K0.2Na2.7Li0.8Ca0.1Mg2.4Fe1.8Si8O22.1[OH]1.4F0.5) Crystal Structure

General Information

  • Phase Label(s): K0.2Na2.7Li0.8Ca0.1Mg2.4Fe1.8Si8O22.1[OH]1.4F0.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ferri-leakeite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer; 48 (determination of cell parameters), automatic diffractometer; Philips PW1100 (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; 1081 reflections; F > 5σ(F), R = 0.014
  • Sample Detail(s): leakeite sample from India, Madhya Pradesh State, Jhabua, Kajlidongri mine, electron microprobe analysis; Si8.002(Al0.125Ti0.409Fe3+0.899Mg2.395Mn3+0.520Li0.667)(Ca0.124Na1.861)(Na0.821K0.151)O22(F0.21[OH]0.97O0.82), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.2Na2.6Li0.7Ca0.1Mg2.9Fe1.5Si8O22[OH]1.8F0.2
  • Alphabetic Formula: Ca0.1F0.2Fe1.5K0.2Li0.7Mg2.9Na2.6O22[OH]1.8Si8
  • Published Formula: NaNa2(Mg2Fe3+2Li)Si8O22(OH)2
  • Refined Formula: Al0.14Ca0.10F0.21Fe1.48H0.97K0.15Li0.67Mg2.30Na2.70O23.79Si8Ti0.41
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.14 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_1617066

  • 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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