Inorganic Solid Phases

Pr(Ni0.2Al0.3Ge0.5)1.8 in Pr33.3Ni13.3Al33.4Ge20.0 (PrNi0.4AlGe0.6) Crystal Structure

General Information

  • Phase Label(s): PrNi0.4AlGe0.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS6
  • Space Group: 35
  • Phase Prototype: Pr(Ni0.2Al0.5Ge0.3)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (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, block-diagonal least-squares refinement on F; 12 variables; 516 reflections, R = 0.0376
  • Sample Detail(s): sample prepared from Ni, Al, Ge, Pr, two-phase sample, single crystal (determination of cell parameters), powder, 0.016×0.046×0.053 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: PrNi0.36Al0.54Ge0.9
  • Alphabetic Formula: Al0.54Ge0.9Ni0.36Pr
  • Published Formula: Pr(Ni0.2Al0.3Ge0.5)1.8 in Pr33.3Ni13.3Al33.4Ge20.0
  • Refined Formula: Al0.97Ge1.03Pr
  • Wyckoff Sequence: 35,ea
  • Z Formula Units: 2
  • Density: ρ = 6.07 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]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1044859

  • 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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