Inorganic Solid Phases

Nb(Al3.1/4Ir0.9/4)2 (NbIr0.45Al1.55) Crystal Structure

General Information

  • Phase Label(s): NbIr0.45Al1.55
  • Structure Class(es): Frank-Kasper phase, Friauf-Laves phase
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP12
  • Space Group: 194
  • Phase Prototype: MgZn2
  • Measurement Detail(s): film (determination of cell parameters), automatic diffractometer; STOE 2-circle (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement, R = 0.1324
  • Sample Detail(s): powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: NbIr0.45Al1.55
  • Alphabetic Formula: Al1.55Ir0.45Nb
  • Published Formula: Nb(Al3.1/4Ir0.9/4)2
  • Refined Formula: Al1.55Ir0.45Nb
  • Wyckoff Sequence: 194,hfa
  • Z Formula Units: 4
  • Density: ρ = 7.86 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
B [nm2]
Type
Computed
Beq [nm2]

Powder Pattern

published defraction line
sin2(θ) [1]
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_1012757

  • 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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