Inorganic Solid Phases

Pr(Ni0.23Al0.03Ge0.74)1.85 (PrNi0.5Al0.2Ge1.3) Crystal Structure

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General Information

  • Phase Label(s): PrNi0.5Al0.2Ge1.3
  • Structure Class(es): AlB2 family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP3
  • Space Group: 191
  • Phase Prototype: AlB2
  • 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): complete structure determined, least-squares refinement; 7 variables; 75 reflections, R = 0.0278; wR = 0.0527
  • Sample Detail(s): sample prepared from Pr, Ni, Al, Ge, energy-dispersive X-ray analysis; Pr35.1(2)Ni14.8(2)Al1.8(1)Ge48.3(5) (for powder sample), single crystal (determination of cell parameters), single crystal, 0.006×0.025×0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: PrNi0.42Al0.06Ge1.37
  • Alphabetic Formula: Al0.06Ge1.37Ni0.42Pr
  • Published Formula: Pr(Ni0.23Al0.03Ge0.74)1.85
  • Refined Formula: Al0.18Ge1.82Pr
  • Wyckoff Sequence: 191,da
  • Z Formula Units: 1
  • Density: ρ = 7.03 Mg·m−3
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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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1230878

  • 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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