Inorganic Solid Phases

Li(Fe1−xScx)Si2O6, x= 0.18; ScFe75 (LiSc0.5Fe0.5Si2O6) Crystal Structure

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General Information

  • Phase Label(s): LiSc0.5Fe0.5Si2O6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS40
  • Space Group: 15
  • Phase Prototype: CaMgSi2O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 298 K (determination of cell parameters), T = 295 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, least-squares refinement; 49 variables, R = 0.0163; wR = 0.0426
  • Sample Detail(s): sample prepared from Li2CO3, Fe2O3 (hematite), SiO2, Sc2O3, powder (determination of cell parameters), single crystal, 0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: LiSc0.18Fe0.82Si2O6
  • Alphabetic Formula: Fe0.82LiO6Sc0.18Si2
  • Published Formula: Li(Fe1−xScx)Si2O6, x= 0.18; ScFe75
  • Refined Formula: Fe0.82LiO6Sc0.18Si2
  • Wyckoff Sequence: 15,f4e2
  • Z Formula Units: 4
  • Density: ρ = 3.36 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
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_1320845

  • 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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