Inorganic Solid Phases

Y(Fe11.04Ti0.52B0.43)Ti0.39 (YTi0.91Fe11.04B0.43, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): YTi0.91Fe11.04B0.43
  • Structure Class(es): CaCu5-Zr4Al3 intergrowth
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI28
  • Space Group: 139
  • Phase Prototype: Y(Ti0.25Fe0.75)4Fe8N0.5
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), neutrons; λ = 0.1184 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): boride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0551
  • Sample Detail(s): sample prepared from Y, Fe, Ti, B, nominal composition YFe10.5TiB0.5; amounts of α-Fe (3 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: YTi0.91Fe11.04B0.43
  • Alphabetic Formula: B0.43Fe11.04Ti0.91Y
  • Published Formula: Y(Fe11.04Ti0.52B0.43)Ti0.39
  • Refined Formula: B0.44Fe11.04Ti0.91Y
  • Wyckoff Sequence: 139,jifba
  • Z Formula Units: 2
  • Density: ρ = 7.19 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_1123170

  • 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