Inorganic Solid Phases

Mg6VNaxHy, x= 0.3 (NaMg6VH12) Crystal Structure

General Information

  • Phase Label(s): NaMg6VH12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF96
  • Space Group: 225
  • Phase Prototype: Y7ReO14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL19B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.070067(1) nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, R = 0.0221; wRP = 0.0862; RB = 0.0176
  • Sample Detail(s): sample prepared from MgH2, VH2, NaH, pressure-composition isotherm; 5-6 wt.% H; amounts of α-MgH2, γ-MgH2, VH2, V2H, MgO and NaCl (39.6 wt.% total), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.3Mg6VH12
  • Alphabetic Formula: H12Mg6Na0.3V
  • Published Formula: Mg6VNaxHy, x= 0.3
  • Refined Formula: H12Mg6Na0.67V
  • Wyckoff Sequence: 225,f2dba
  • Z Formula Units: 4
  • Density: ρ = 1.70 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_1605458

  • 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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