The crystal structure described by LiIr2N3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra and corners with ten equivalent Ir(1)N4 trigonal pyramids. Ir(1) is bonded to one N(2) and three equivalent N(1) atoms to form IrN4 trigonal pyramids that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Ir(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Li(1) and two equivalent Ir(1) atoms to form corner-sharing NLi2Ir2 tetrahedra. In the second N site, N(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_LiIr2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.864
_cell_length_c   5.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.831
_symmetry_Int_Tables_number   1
_cell_volume   145.459
_cell_formula_units_Z   2
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  0.000  0.670  0.480  1.0
  Li  Li1  1  0.000  0.330  0.980  1.0
  Ir  Ir2  1  0.276  0.267  0.505  1.0
  Ir  Ir3  1  0.724  0.991  0.505  1.0
  Ir  Ir4  1  0.724  0.733  0.005  1.0
  Ir  Ir5  1  0.276  0.009  0.005  1.0
  N  N6  1  0.413  0.370  0.858  1.0
  N  N7  1  0.587  0.957  0.858  1.0
  N  N8  1  0.587  0.630  0.358  1.0
  N  N9  1  0.413  0.043  0.358  1.0
  N  N10  1  0.000  0.664  0.882  1.0
  N  N11  1  0.000  0.336  0.382  1.0
[/CIF]
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The crystal structure described by LiIr2N3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra and corners with ten equivalent Ir(1)N4 trigonal pyramids. Ir(1) is bonded to one N(2) and three equivalent N(1) atoms to form IrN4 trigonal pyramids that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Ir(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Li(1) and two equivalent Ir(1) atoms to form corner-sharing NLi2Ir2 tetrahedra. In the second N site, N(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_LiIr2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.864
_cell_length_c   5.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.831
_symmetry_Int_Tables_number   1
_cell_volume   145.459
_cell_formula_units_Z   2
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  0.000  0.670  0.480  1.0
  Li  Li1  1  0.000  0.330  0.980  1.0
  Ir  Ir2  1  0.276  0.267  0.505  1.0
  Ir  Ir3  1  0.724  0.991  0.505  1.0
  Ir  Ir4  1  0.724  0.733  0.005  1.0
  Ir  Ir5  1  0.276  0.009  0.005  1.0
  N  N6  1  0.413  0.370  0.858  1.0
  N  N7  1  0.587  0.957  0.858  1.0
  N  N8  1  0.587  0.630  0.358  1.0
  N  N9  1  0.413  0.043  0.358  1.0
  N  N10  1  0.000  0.664  0.882  1.0
  N  N11  1  0.000  0.336  0.382  1.0
[/CIF]
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