Inorganic Solid Phases

(Hf0.70Ti0.30)(Ni0.50V0.50)2Dx (Hf0.7Ti0.3VNiD2.2) Crystal Structure

General Information

  • Phase Label(s): Hf0.7Ti0.3VNiD2.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP42
  • Space Group: 194
  • Phase Prototype: Zr(Mo0.5Fe0.5)2H2.6
  • Measurement Detail(s): Guinier-Hägg film (determination of cell parameters), automatic diffractometer; Sweden, Studsvik Neutron Research Laboratory, R2 reactor (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154060 nm (determination of cell parameters), neutrons; λ = 0.111 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.041; RB = 0.167
  • Sample Detail(s): sample prepared from Hf0.24TiV3Ni0.56, D2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Hf0.7Ti0.3VNiD2.2
  • Alphabetic Formula: D2.2Hf0.7NiTi0.3V
  • Published Formula: (Hf0.70Ti0.30)(Ni0.50V0.50)2Dx
  • Refined Formula: D2.17Hf0.70Ni1.36Ti0.30V0.64
  • Wyckoff Sequence: 194,lh2fa
  • Z Formula Units: 4
  • Density: ρ = 8.55 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_1411206

  • 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

    Citation copied