Inorganic Solid Phases

LaMMNi3.55Co0.75Mn0.4Al0.3D5.1 (La0.5Ce0.3Pr0.1Nd0.1Mn0.4Co0.75Ni3.35Al0.3D4.7) Crystal Structure

General Information

  • Phase Label(s): La0.5Ce0.3Pr0.1Nd0.1Mn0.4Co0.75Ni3.35Al0.3D4.7
  • 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): automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, OSIRIS (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0330; wRP = 0.0386
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: La0.5Ce0.3Pr0.1Nd0.1Mn0.4Co0.75Ni3.55Al0.3D5.1
  • Alphabetic Formula: Al0.3Ce0.3Co0.75D5.1La0.5Mn0.4Nd0.1Ni3.55Pr0.1
  • Published Formula: LaMMNi3.55Co0.75Mn0.4Al0.3D5.1
  • Refined Formula: Al0.30Ce0.30Co0.75D4.83La0.50Mn0.40Nd0.10Ni3.55Pr0.10
  • Wyckoff Sequence: 191,onmhgca
  • Z Formula Units: 1
  • Density: ρ = 6.87 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1810442

  • 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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