The compound described by Li2UN2 crystallizes in the trigonal P-3 space group. Li(1) is bonded to four equivalent N(1) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent U(1)N6 octahedra, corners with four equivalent U(2)N6 octahedra, corners with six equivalent Li(1)N4 tetrahedra,  an edgeedge with one U(1)N6 octahedra, edges with two equivalent U(2)N6 octahedra, and edges with three equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-61°. There are two inequivalent U sites. In the first U site, U(1) is bonded to six equivalent N(1) atoms to form UN6 octahedra that share corners with twelve equivalent Li(1)N4 tetrahedra, edges with six equivalent U(2)N6 octahedra, and edges with six equivalent Li(1)N4 tetrahedra. In the second U site, U(2) is bonded to six equivalent N(1) atoms to form UN6 octahedra that share corners with twelve equivalent Li(1)N4 tetrahedra, edges with three equivalent U(1)N6 octahedra, edges with three equivalent U(2)N6 octahedra, and edges with six equivalent Li(1)N4 tetrahedra. N(1) is bonded to four equivalent Li(1), one U(1), and two equivalent U(2) atoms to form a mixture of distorted edge and corner-sharing NLi4U3 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Li2UN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.043
_cell_length_b   6.043
_cell_length_c   5.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   175.140
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.984  0.658  0.606  1.0
  Li  Li1  1  0.342  0.326  0.606  1.0
  Li  Li2  1  0.674  0.016  0.606  1.0
  Li  Li3  1  0.016  0.342  0.394  1.0
  Li  Li4  1  0.658  0.674  0.394  1.0
  Li  Li5  1  0.326  0.984  0.394  1.0
  U  U6  1  0.000  0.000  0.000  1.0
  U  U7  1  0.333  0.667  0.993  1.0
  U  U8  1  0.667  0.333  0.007  1.0
  N  N9  1  0.000  0.666  0.225  1.0
  N  N10  1  0.334  0.334  0.225  1.0
  N  N11  1  0.666  1.000  0.225  1.0
  N  N12  1  1.000  0.334  0.775  1.0
  N  N13  1  0.666  0.666  0.775  1.0
  N  N14  1  0.334  0.000  0.775  1.0
[/CIF]
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The compound described by Li2UN2 crystallizes in the trigonal P-3 space group. Li(1) is bonded to four equivalent N(1) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent U(1)N6 octahedra, corners with four equivalent U(2)N6 octahedra, corners with six equivalent Li(1)N4 tetrahedra,  an edgeedge with one U(1)N6 octahedra, edges with two equivalent U(2)N6 octahedra, and edges with three equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-61°. There are two inequivalent U sites. In the first U site, U(1) is bonded to six equivalent N(1) atoms to form UN6 octahedra that share corners with twelve equivalent Li(1)N4 tetrahedra, edges with six equivalent U(2)N6 octahedra, and edges with six equivalent Li(1)N4 tetrahedra. In the second U site, U(2) is bonded to six equivalent N(1) atoms to form UN6 octahedra that share corners with twelve equivalent Li(1)N4 tetrahedra, edges with three equivalent U(1)N6 octahedra, edges with three equivalent U(2)N6 octahedra, and edges with six equivalent Li(1)N4 tetrahedra. N(1) is bonded to four equivalent Li(1), one U(1), and two equivalent U(2) atoms to form a mixture of distorted edge and corner-sharing NLi4U3 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Li2UN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.043
_cell_length_b   6.043
_cell_length_c   5.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   175.140
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.984  0.658  0.606  1.0
  Li  Li1  1  0.342  0.326  0.606  1.0
  Li  Li2  1  0.674  0.016  0.606  1.0
  Li  Li3  1  0.016  0.342  0.394  1.0
  Li  Li4  1  0.658  0.674  0.394  1.0
  Li  Li5  1  0.326  0.984  0.394  1.0
  U  U6  1  0.000  0.000  0.000  1.0
  U  U7  1  0.333  0.667  0.993  1.0
  U  U8  1  0.667  0.333  0.007  1.0
  N  N9  1  0.000  0.666  0.225  1.0
  N  N10  1  0.334  0.334  0.225  1.0
  N  N11  1  0.666  1.000  0.225  1.0
  N  N12  1  1.000  0.334  0.775  1.0
  N  N13  1  0.666  0.666  0.775  1.0
  N  N14  1  0.334  0.000  0.775  1.0
[/CIF]
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