Inorganic Solid Phases

K0.24Na2.66Li0.64Mg0.54Zn0.06Ti0.08Mn0.7Fe2.98Al0.33Si7.67O22.3F1.7H0.194 (Na2.7Li0.7Mg0.6Mn0.7Fe2.9Al0.2Si7.8O22[OH]0.4F1.6) Crystal Structure

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): positions of non-H atoms determined, least-squares refinement; 1067 reflections; F > 5σ(F), R = 0.013
  • Sample Detail(s): leakeite sample from U.S.A. New Mexico, Questa Caldera, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na2.7Li0.6Mg0.5Mn0.7Fe3.0Al0.3Si7.7O22[OH]0.3F1.7
  • Alphabetic Formula: Al0.3F1.7Fe3.0Li0.6Mg0.5Mn0.7Na2.7O22[OH]0.3Si7.7
  • Published Formula: K0.24Na2.66Li0.64Mg0.54Zn0.06Ti0.08Mn0.7Fe2.98Al0.33Si7.67O22.3F1.7H0.194
  • Refined Formula: Al0.33F1.70Fe2.98H0.30K0.24Li0.64Mg0.54Mn0.70Na2.66O22.30Si7.67Ti0.08Zn0.06
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.29 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213348

  • 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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