Inorganic Solid Phases

Pd2.7Ni0.3P0.94 (Ni0.5Pd2.5P) Crystal Structure

General Information

  • Phase Label(s): Ni0.5Pd2.5P
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP16
  • Space Group: 62
  • Phase Prototype: Fe3C-b
  • Measurement Detail(s): Guinier-Hägg film (determination of cell parameters), automatic diffractometer; Sweden, Studsvik Neutron Research Laboratory, R2 reactor (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), neutrons; λ = 0.147 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 27 variables, R = 0.0441; RP = 0.0397; wRP = 0.0560; RB = 0.0734
  • Sample Detail(s): sample prepared from Pd, Ni, P, amounts of PdNi (10 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ni0.3Pd2.7P0.94
  • Alphabetic Formula: Ni0.3P0.94Pd2.7
  • Published Formula: Pd2.7Ni0.3P0.94
  • Refined Formula: Ni0.32P0.94Pd2.68
  • Wyckoff Sequence: 62,dc2
  • Z Formula Units: 4
  • Density: ρ = 9.99 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1321113

  • 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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