Inorganic Solid Phases

Zr(Cr0.7Cu0.15Ni0.15)2D3.50 (Cu0.2ZrCr1.6Ni0.2D3.8 hex) Crystal Structure

General Information

  • Phase Label(s): Cu0.2ZrCr1.6Ni0.2D3.8 hex
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP60
  • Space Group: 194
  • Phase Prototype: ZrMn2H3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Centre d'Etudes Nucléaires CEN, SILOE reactor (determination of structural parameters), neutrons; λ = 0.1336 nm (determination of cell and structural parameters), T = 280 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.026; wRP = 0.033; RB = 0.103
  • Sample Detail(s): sample prepared from Zr, Cr, Cu, Ni, D2, energy-dispersive X-ray analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu0.3ZrCr1.4Ni0.3D3.50
  • Alphabetic Formula: Cr1.4Cu0.3D3.50Ni0.3Zr
  • Published Formula: Zr(Cr0.7Cu0.15Ni0.15)2D3.50
  • Refined Formula: Cr1.55Cu0.22D3.48Ni0.22Zr
  • Wyckoff Sequence: 194,lkh3fa
  • Z Formula Units: 4
  • Density: ρ = 6.23 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1211438

  • 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)

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