Inorganic Solid Phases

Li2(Fe2+Mg)3Fe3+2Si8O22(OH)2 (Na0.7Li2.4Mg0.99Ti0.13Fe3.11Al0.21Si8O22[OH]1.5F0.5) Crystal Structure

General Information

  • Phase Label(s): Na0.7Li2.4Mg0.99Ti0.13Fe3.11Al0.21Si8O22[OH]1.5F0.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sodic-ferri-ferropedrizite
  • Pearson Symbol: mS86
  • Space Group: 12
  • Phase Prototype: Na0.85Li2.38Mg1.54Fe2.61Al0.22Si8O22[OH]1.31F0.69
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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; 1030 reflections; I > 3σ(I), R = 0.027; wR = 0.028
  • Sample Detail(s): clinoholmquisite sample from Spain, Central System, East Pedriza, chemical analysis; 56.15 wt.% SiO2, 1.19 wt.% Al2O3, 14.37 wt.% Fe2O3, 11.29 wt.% FeO, 5.72 wt.% MgO, 3.75 wt.% Li2O, 2.66 wt.% Na2O et al., single crystal (determination of cell parameters), single crystal, 0.08×0.1×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.7Li2.2Mg1.2Ti0.1Fe2.9Al0.2Si8O22[OH]1.6F0.4
  • Alphabetic Formula: Al0.2F0.4Fe2.9Li2.2Mg1.2Na0.7O22[OH]1.6Si8Ti0.1
  • Published Formula: Li2(Fe2+Mg)3Fe3+2Si8O22(OH)2
  • Refined Formula: Al0.20F0.42Fe2.93H1.58Li2.21Mg1.20Na0.76O23.58Si8Ti0.14
  • Wyckoff Sequence: 12,j7i4h3ga
  • Z Formula Units: 2
  • Density: ρ = 3.21 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_1617522

  • 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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