Inorganic Solid Phases

Ce(Cu,Al,Ga)13−x (Cu6.6CeAl4.4Ga1.9) Crystal Structure

General Information

  • Phase Label(s): Cu6.6CeAl4.4Ga1.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF112
  • Space Group: 226
  • Phase Prototype: CaCu(Cu0.48Al0.52)12
  • Measurement Detail(s): automatic diffractometer; 3155 (determination of cell parameters), automatic diffractometer; U.S.A. Tennessee, Oak Ridge National Laboratory ORNL, SNS, BL-12, TOPAZ (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 29 variables; 2963 reflections; F2 > 2σ(F2), R = 0.0501; wR = 0.1424
  • Sample Detail(s): sample prepared from Ce, Cu, Al, Ga, energy-dispersive X-ray analysis; Ce1.0Cu6.6(2)Al4.4(5)Ga1.9(1), single crystal (determination of cell parameters), single crystal, 1.80×2.10×2.70 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu6.6CeAl4.4Ga1.9
  • Alphabetic Formula: Al4.4CeCu6.6Ga1.9
  • Published Formula: Ce(Cu,Al,Ga)13−x
  • Refined Formula: Al3.96CeCu6.61Ga2.28
  • Wyckoff Sequence: 226,iba
  • Z Formula Units: 8
  • Density: ρ = 6.45 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1935828

  • 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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