Inorganic Solid Phases

Li2Mg2(NH)3; Li2.79Mg2.66N4H4 (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 (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): imide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 16 variables; 88 reflections, RP = 0.1210; wRP = 0.1609; RB = 0.17219
  • Sample Detail(s): sample prepared from Mg[NH2]2, LiH, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li2.67Mg2.67[NH]4
  • Alphabetic Formula: Li2.67Mg2.67[NH]4
  • Published Formula: Li2Mg2(NH)3; Li2.79Mg2.66N4H4
  • Refined Formula: H4Li2.79Mg2.66N4
  • Wyckoff Sequence: 121,iedca
  • Z Formula Units: 2
  • Density: ρ = 1.88 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1604251

  • 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)

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