Inorganic Solid Phases

NaNa2(Mg2Fe3+2Li)Si8O22(OH)2 (Na2.7Li0.7Mg0.6Mn0.7Fe2.9Al0.2Si7.8O22[OH]0.4F1.6) Crystal Structure

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General Information

  • Phase Label(s): Na2.7Li0.7Mg0.6Mn0.7Fe2.9Al0.2Si7.8O22[OH]0.4F1.6
  • 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 (determination of cell and 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, 1072 reflections, R = 0.015
  • Sample Detail(s): leakeite sample from India, Madhya Pradesh State, Jhabua, Kajlidongri mine, atomic absorption spectroscopy, electron microprobe analysis; (Si7.93Al0.07)(Al0.14Fe3+1.31Mn3+0.42Mg2.32Li0.81)(Ca0.08Na1.92)(Na0.75K0.20)O22(F0.49[OH]1.51), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3.1Li0.8Mg2.4Mn0.4Fe1.3Al0.2Si7.9O22[OH]1.5F0.5
  • Alphabetic Formula: Al0.2F0.5Fe1.3Li0.8Mg2.4Mn0.4Na3.1O22[OH]1.5Si7.9
  • Published Formula: NaNa2(Mg2Fe3+2Li)Si8O22(OH)2
  • Refined Formula: Ca0.04Fe2H2Li0.83Mg2.17Na2.81O24Si8
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.12 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]

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_1616889

  • 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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