Inorganic Solid Phases

PdNiAs (NiPdAs maj) Crystal Structure

General Information

  • Phase Label(s): NiPdAs maj
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): majakite
  • Pearson Symbol: hP18
  • Space Group: 190
  • Phase Prototype: HfRhSn
  • Measurement Detail(s): automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070930 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 52 variables; 144 reflections, RP = 0.0223; wRP = 0.0276; RB = 0.0096
  • Sample Detail(s): majakite sample from synthetic, sample prepared from Pd2As, Ni2As, energy-dispersive X-ray analysis; 44.03 wt.% Pd, 31.34 wt.% Ni, 24.73 wt.% As; amounts of NiAs (7.16 wt.%) and Si (38.61 wt.%, as standard), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: NiPdAs
  • Alphabetic Formula: AsNiPd
  • Published Formula: PdNiAs
  • Refined Formula: AsNi0.81Pd1.19
  • Wyckoff Sequence: 190,hgfb
  • Z Formula Units: 6
  • Density: ρ = 9.32 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_1716044

  • 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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