Inorganic Solid Phases

Nd3Fe27.76Ti1.24 (Nd3Ti14.5Fe14.5) Crystal Structure

General Information

  • Phase Label(s): Nd3Ti14.5Fe14.5
  • Structure Class(es): CaCu5-Zr4Al3 intergrowth
  • Classification by Properties: ferrimagnet FiM, ferromagnet FM, metal
  • Mineral Name(s):
  • Pearson Symbol: mS64
  • Space Group: 12
  • Phase Prototype: Nd3(Ti0.21Fe0.79)6Fe23
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Missouri, Columbia, University of Missouri Research Reactor Center, MURR reactor (determination of structural parameters), neutrons; λ = 0.14873 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined; magnetic structure determined, full-profile refinement, RP = 0.0361; wRP = 0.0474
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Nd3Ti1.24Fe27.76
  • Alphabetic Formula: Fe27.76Nd3Ti1.24
  • Published Formula: Nd3Fe27.76Ti1.24
  • Refined Formula: Fe27.76Nd3Ti1.24
  • Wyckoff Sequence: 14,e15da
  • Z Formula Units: 2
  • Density: ρ = 7.63 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_0311082

  • 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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