Inorganic Solid Phases

LaNi4.5Al0.5D4.5, La0.91Ni4.5Al0.5D4.43 (LaNi4.25Al0.75D3.1) Crystal Structure

General Information

  • Phase Label(s): LaNi4.25Al0.75D3.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP24
  • Space Group: 191
  • Phase Prototype: Ce(Mn0.08Co0.15Ni0.71Al0.06)5H1.3
  • Measurement Detail(s): diffractometer (determination of cell and structural parameters), neutrons (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, R = 0.0411
  • Sample Detail(s): sample prepared from La(Ni,Al)5, D2, pressure-volumetric; 4.5 atoms of deuterium per formula unit, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: La0.93Ni4.64Al0.5D4.55
  • Alphabetic Formula: Al0.5D4.55La0.93Ni4.64
  • Published Formula: LaNi4.5Al0.5D4.5, La0.91Ni4.5Al0.5D4.43
  • Refined Formula: Al0.51D4.55La0.93Ni4.62
  • Wyckoff Sequence: 191,mligeca
  • Z Formula Units: 1
  • Density: ρ = 6.73 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_1611738

  • 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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