Inorganic Solid Phases

Li7−2xMgx[VN4], x= 1 (Li5MgVN4) Crystal Structure

General Information

  • Phase Label(s): Li5MgVN4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP96
  • Space Group: 61
  • Phase Prototype: Li5MgVN4
  • Measurement Detail(s): automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor, E9, FIREPOD (determination of structural parameters), neutrons (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 45 variables, RP = 0.089; wRP = 0.115; RB = 0.155
  • Sample Detail(s): sample prepared from VN, Li3N, Mg3N2, atomic emission spectroscopy, inductive coupled plasma method; Li45.62Mg7.78N37.92V8.68; Li, Mg and V content analyzed; composition determined as Li5.24(4)Mg0.89(1)[VN4.3(1)], powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Li5MgVN4
  • Alphabetic Formula: Li5MgN4V
  • Published Formula: Li7−2xMgx[VN4], x= 1
  • Refined Formula: Li5Mg1.02N4V
  • Wyckoff Sequence: 61,c12
  • Z Formula Units: 8
  • Density: ρ = 2.51 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_1708929

  • 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