Inorganic Solid Phases

Sc4Mg0.50(2)Cu14.50(2)Ga7.61(2) (Mg0.50Cu14.50Sc4Ga7.61) Crystal Structure

General Information

  • Phase Label(s): Mg0.50Cu14.50Sc4Ga7.61
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS108
  • Space Group: 65
  • Phase Prototype: Cu14.75Sc4Ga7.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): average structure determined; refinement in superspace, full-matrix least-squares refinement on F2; 87 variables; 5117 reflections; I > 3σ(I), R = 0.0833; wR = 0.0704
  • Sample Detail(s): sample prepared from Sc, Cu, Ga, Mg, energy-dispersive X-ray analysis; Cu53.6(4)Ga29.0(4)Mg1.4(4)Sc16.0(2), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.50Cu14.50Sc4Ga7.61
  • Alphabetic Formula: Cu14.50Ga7.61Mg0.50Sc4
  • Published Formula: Sc4Mg0.50(2)Cu14.50(2)Ga7.61(2)
  • Refined Formula: Cu14.50Ga7.89Mg0.50Sc4
  • Wyckoff Sequence: 65,r2qpn2lkj2i3hgfe
  • Z Formula Units: 4
  • Density: ρ = 7.29 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1123992

  • 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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