Inorganic Solid Phases

LaFe12.0Si1.0 (LaFe11Si2 rt, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): LaFe11Si2 rt
  • Structure Class(es):
  • Classification by Properties: ferromagnet FM, giant magnetocaloric effect GMCE, intercalation compound, metal
  • Mineral Name(s):
  • Pearson Symbol: cF112
  • Space Group: 226
  • Phase Prototype: NaZn13
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα1; λ = 0.071073 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement on F2; 10 variables; 95 reflections, R = 0.0111; wR = 0.0240
  • Sample Detail(s): sample prepared from La, Fe, Si, energy-dispersive X-ray analysis; La0.97(2)Fe11.11(3)Si1.89(3); weight loss during preparation < 1-2 wt.%, single crystal (determination of cell parameters), single crystal, 0.15×0.19×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: LaFe12Si
  • Alphabetic Formula: Fe12LaSi
  • Published Formula: LaFe12.0Si1.0
  • Refined Formula: Fe11.68LaSi1.32
  • Wyckoff Sequence: 226,iba
  • Z Formula Units: 8
  • Density: ρ = 7.34 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1123824

  • 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

    Citation copied