Inorganic Solid Phases

NaNa2(Mg2Fe3+2Li)Si8O22F2 (Na3LiMg2Fe2Si8O22F2) Crystal Structure

General Information

  • Phase Label(s): Na3LiMg2Fe2Si8O22F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ferri-fluoro-leakeite
  • Pearson Symbol: mS82
  • Space Group: 12
  • Phase Prototype: NaCa2Mg3(Mg0.5Al0.5)2(Al0.25Si0.75)8O22F2
  • 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): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 2535 reflections, R = 0.026
  • Sample Detail(s): fluoroleakeite sample from Kazakhstan, Mt. Tarbagatai range, Akjailyautas massif, Verkhnee Espe deposit, electron microprobe analysis; (Na0.64K0.38)(Na1.98Ca0.02)(Li0.66Mg1.42Fe2+0.75Mn2+0.26Zn0.02Fe3+1.69V3+0.01Ti4+0.14Al0.03)(Si7.93Al0.07)O22(F1.57(OH)0.16O0.27), single crystal (determination of cell parameters), single crystal, 0.025×0.200×0.300 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3LiMg2Fe2Si8O22F2
  • Alphabetic Formula: F2Fe2LiMg2Na3O22Si8
  • Published Formula: NaNa2(Mg2Fe3+2Li)Si8O22F2
  • Refined Formula: Al0.12Ca0.02F1.56Fe2.47H0.16K0.37Li0.66Mg1.43Mn0.26Na2.61O22.44Si7.92Ti0.14
  • Wyckoff Sequence: 12,j7i3h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.12 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [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_1225452

  • 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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