Inorganic Solid Phases

YTiFe11N0.5 (YTiFe11N, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): YTiFe11N
  • Structure Class(es): CaCu5-Zr4Al3 intergrowth
  • Classification by Properties: ferrimagnet FiM, ferromagnet FM, intercalation compound, metal
  • Mineral Name(s):
  • Pearson Symbol: tI28
  • Space Group: 139
  • Phase Prototype: Y(Ti0.25Fe0.75)4Fe8N0.5
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; China, Beijing, Institute of Atomic Energy, HWR reactor (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), neutrons; λ = 0.1184 nm (determination of structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitride
  • Interpretation Detail(s): complete structure determined; magnetic structure determined, Rietveld refinement, RB = 0.0195
  • Sample Detail(s): sample prepared from Y, Ti, Fe, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: YTiFe11N0.5
  • Alphabetic Formula: Fe11N0.5TiY
  • Published Formula: YTiFe11N0.5
  • Refined Formula: Fe11.67N0.50Ti0.33Y
  • Wyckoff Sequence: 139,jifba
  • Z Formula Units: 2
  • Density: ρ = 7.04 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

Powder Pattern

published defraction line
2θ [°]
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_0379832

  • 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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