Inorganic Solid Phases

Zr6Cu8Si12 (Cu4Zr3Si6) Crystal Structure

General Information

  • Phase Label(s): Cu4Zr3Si6
  • Structure Class(es):
  • Classification by Properties: intercalation compound, metal
  • Mineral Name(s):
  • Pearson Symbol: tI26
  • Space Group: 139
  • Phase Prototype: Cu4Zr3Si6
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Ag Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 404 reflections; I > 3σ(I), R = 0.070; wR = 0.074
  • Sample Detail(s): sample prepared from Zr, Cu, Si, electron microprobe analysis; Cu30.77Si45.77Zr23.46, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu4Zr3Si6
  • Alphabetic Formula: Cu4Si6Zr3
  • Published Formula: Zr6Cu8Si12
  • Refined Formula: Cu4Si6Zr3
  • Wyckoff Sequence: 139,ge3da
  • Z Formula Units: 2
  • Density: ρ = 5.86 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
d [Å]
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_1901927

  • 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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