Inorganic Solid Phases

(Si7.978Al0.022)(Al0.057Fe3+0.884Mn0.047Ti0.006Mg3.846Li0.236)(Ca0.586Na1.337)(Na0.476K0.181)O22(OH)1.750F0.238O0.012 (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 (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, least-squares refinement; 1374 reflections, R = 0.058
  • Sample Detail(s): amphibole group sample from India, Madhya Pradesh State, Jhabua, Kajlidongri mine, electron microprobe analysis; (Si7.978Al0.022)(Al0.057Fe3+0.884Mn0.047Ti0.006Mg3.846Li0.236)(Ca0.586Na1.337)(Na0.476K0.181)O22[OH]1.750F0.238O0.012, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.18Na1.811Li0.237Ca0.586Mg3.846FeSi7.98O22.012[OH]1.75F0.238
  • Alphabetic Formula: Ca0.586F0.238FeK0.18Li0.237Mg3.846Na1.811O22.012[OH]1.75Si7.98
  • Published Formula: (Si7.978Al0.022)(Al0.057Fe3+0.884Mn0.047Ti0.006Mg3.846Li0.236)(Ca0.586Na1.337)(Na0.476K0.181)O22(OH)1.750F0.238O0.012
  • Refined Formula: Al0.06Ca0.59F0.24Fe0.88H1.76K0.18Li0.23Mg3.85Mn0.04Na1.81O23.76Si8Ti0.01
  • Wyckoff Sequence: 12,j7i3h3g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.07 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]

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_1221631

  • 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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