Inorganic Solid Phases

Li3Mg3(NH2)(NH)4 (Li2.67Mg2.67[NH]4) Crystal Structure

General Information

  • Phase Label(s): Li2.67Mg2.67[NH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI22
  • Space Group: 121
  • Phase Prototype: Li2.33(Li0.17Mg0.83)2Mg[NH]4
  • Measurement Detail(s): automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL19B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.080 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): imide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.0237; RB = 0.0297
  • Sample Detail(s): sample prepared from Mg3N2, Li3N, p-c isotherm measurement at 523 K; desorbed 0.0 mol.% of hydrogen for (Mg3N2 + 4Li3N); amounts of LiH, LiNH2, MgO, Li2O, LiOH, Fe (12.5, 10.8, 11.1, 4.6, 17.6, 0.3 %), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Li2.4Mg2.4[NH]3.2[NH2]0.8
  • Alphabetic Formula: Li2.4Mg2.4[NH]3.2[NH2]0.8
  • Published Formula: Li3Mg3(NH2)(NH)4
  • Refined Formula: H4.76Li2.40Mg2.40N4
  • Wyckoff Sequence: 121,iedca
  • Z Formula Units: 2
  • Density: ρ = 1.78 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_1718173

  • 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