The material structure described by LiCo2N3 is Enargite-like structured and 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 LiN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra and corners with ten equivalent Co(1)N4 tetrahedra. Co(1) is bonded to one N(2) and three equivalent N(1) atoms to form CoN4 tetrahedra that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Co(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Li(1) and two equivalent Co(1) atoms to form distorted NLi2Co2 tetrahedra that share corners with two equivalent N(2)Li2Co2 tetrahedra and corners with ten equivalent N(1)LiCo3 tetrahedra. In the second N site, N(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form NLiCo3 tetrahedra that share corners with five equivalent N(2)Li2Co2 tetrahedra and corners with seven equivalent N(1)LiCo3 tetrahedra. is represented by the CIF file [CIF]
data_LiCo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.422
_cell_length_b   5.386
_cell_length_c   4.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.780
_symmetry_Int_Tables_number   1
_cell_volume   125.110
_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  0.673  0.480  1.0
  Li  Li1  1  0.000  0.327  0.980  1.0
  Co  Co2  1  0.331  0.329  0.491  1.0
  Co  Co3  1  0.669  0.998  0.491  1.0
  Co  Co4  1  0.669  0.671  0.991  1.0
  Co  Co5  1  0.331  0.002  0.991  1.0
  N  N6  1  0.385  0.339  0.855  1.0
  N  N7  1  0.615  0.954  0.855  1.0
  N  N8  1  0.615  0.661  0.355  1.0
  N  N9  1  0.385  0.046  0.355  1.0
  N  N10  1  0.000  0.713  0.916  1.0
  N  N11  1  0.000  0.287  0.416  1.0
[/CIF]
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The material structure described by LiCo2N3 is Enargite-like structured and 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 LiN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra and corners with ten equivalent Co(1)N4 tetrahedra. Co(1) is bonded to one N(2) and three equivalent N(1) atoms to form CoN4 tetrahedra that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Co(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Li(1) and two equivalent Co(1) atoms to form distorted NLi2Co2 tetrahedra that share corners with two equivalent N(2)Li2Co2 tetrahedra and corners with ten equivalent N(1)LiCo3 tetrahedra. In the second N site, N(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form NLiCo3 tetrahedra that share corners with five equivalent N(2)Li2Co2 tetrahedra and corners with seven equivalent N(1)LiCo3 tetrahedra. is represented by the CIF file [CIF]
data_LiCo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.422
_cell_length_b   5.386
_cell_length_c   4.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.780
_symmetry_Int_Tables_number   1
_cell_volume   125.110
_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  0.673  0.480  1.0
  Li  Li1  1  0.000  0.327  0.980  1.0
  Co  Co2  1  0.331  0.329  0.491  1.0
  Co  Co3  1  0.669  0.998  0.491  1.0
  Co  Co4  1  0.669  0.671  0.991  1.0
  Co  Co5  1  0.331  0.002  0.991  1.0
  N  N6  1  0.385  0.339  0.855  1.0
  N  N7  1  0.615  0.954  0.855  1.0
  N  N8  1  0.615  0.661  0.355  1.0
  N  N9  1  0.385  0.046  0.355  1.0
  N  N10  1  0.000  0.713  0.916  1.0
  N  N11  1  0.000  0.287  0.416  1.0
[/CIF]
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