Inorganic Solid Phases

Mg0.65Sc0.35Dx, Mg0.65Sc0.35D0.85 (Mg0.65Sc0.35D2.2) Crystal Structure

General Information

  • Phase Label(s): Mg0.65Sc0.35D2.2
  • Structure Class(es): b.c.c. atom arrangement, fluorite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF16
  • Space Group: 225
  • Phase Prototype: BiF3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 3T2 (determination of structural parameters), neutrons; λ = 0.1225 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 32 variables, RP = 0.025; wRP = 0.030; RB = 0.029
  • Sample Detail(s): sample prepared from D2.2Mg0.65Sc0.35, amounts of Mg0.65Sc0.35Dx' (x'= 1.55) and ScPd3Dy (y= 1.5), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.65Sc0.35D0.85
  • Alphabetic Formula: D0.85Mg0.65Sc0.35
  • Published Formula: Mg0.65Sc0.35Dx, Mg0.65Sc0.35D0.85
  • Refined Formula: D0.86Mg0.65Sc0.35
  • Wyckoff Sequence: 225,cba
  • Z Formula Units: 4
  • Density: ρ = 2.14 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_1420771

  • 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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