Inorganic Solid Phases

α-Li2Mg(NH)2; α-Li2Mg(NH1−xDx)2, x~ 0.7 (Li2Mg[NH]0.6[ND]1.4 orth) Crystal Structure

General Information

  • Phase Label(s): Li2Mg[NH]0.6[ND]1.4 orth
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oI20
  • Space Group: 45
  • Phase Prototype: (Li0.67Mg0.33)3[NH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, SUNY, X3B1 (determination of structural parameters), X-rays, synchrotron; λ = 0.06987 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): imide, imide-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 104 reflections, RP = 0.0391; wRP = 0.0501
  • Sample Detail(s): sample prepared from LiNH2, LiH, MgH2, Mg, Mg[NH2]2, trace amounts of MgO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li2Mg[NH]0.6[ND]1.4
  • Alphabetic Formula: Li2Mg[ND]1.4[NH]0.6
  • Published Formula: α-Li2Mg(NH)2; α-Li2Mg(NH1−xDx)2, x~ 0.7
  • Refined Formula: D1.40H0.60Li2.13Mg0.87N2
  • Wyckoff Sequence: 45,c2a
  • Z Formula Units: 4
  • Density: ρ = 1.82 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_1926351

  • 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