Inorganic Solid Phases

α"-Ti-12Nb (Ti0.6Nb0.4 rt) Crystal Structure

General Information

  • Phase Label(s): Ti0.6Nb0.4 rt
  • Structure Class(es): close-packed structure
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS4
  • Space Group: 63
  • Phase Prototype: (Cu0.75Ti0.25)
  • Measurement Detail(s): automatic diffractometer; Philips PW3020 (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.18059; wRP = 0.24699
  • Sample Detail(s): sample prepared from Ti, Nb, chemical analysis; 87.9 at.% Ti, 12.1 at.% Nb, trace amounts of O (1197 ppm), N (54 ppm) and H (22 ppm) detected, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ti0.88Nb0.12
  • Alphabetic Formula: Nb0.12Ti0.88
  • Published Formula: α"-Ti-12Nb
  • Refined Formula: Nb0.12Ti0.88
  • Wyckoff Sequence: 63,c
  • Z Formula Units: 4
  • Density: ρ = 4.83 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_1717519

  • 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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