The material structure described by Li3BiN2 crystallizes in the cubic Ia-3 space group. Li(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. Bi(1) is bonded to one N(1) and three equivalent N(2) atoms to form distorted corner-sharing BiN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a hexagonal bipyramidal geometry to six equivalent Li(1) and two equivalent Bi(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3BiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.332
_cell_length_b   10.775
_cell_length_c   10.775
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   625.572
_cell_formula_units_Z   8
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  0.219  0.046  0.010  1.0
  Li  Li1  1  0.781  0.764  0.490  1.0
  Li  Li2  1  0.781  0.454  0.792  1.0
  Li  Li3  1  0.219  0.736  0.708  1.0
  Li  Li4  1  0.198  0.792  0.254  1.0
  Li  Li5  1  0.802  0.708  0.056  1.0
  Li  Li6  1  0.198  0.010  0.444  1.0
  Li  Li7  1  0.802  0.490  0.246  1.0
  Li  Li8  1  0.690  0.056  0.736  1.0
  Li  Li9  1  0.690  0.254  0.454  1.0
  Li  Li10  1  0.310  0.246  0.764  1.0
  Li  Li11  1  0.310  0.444  0.046  1.0
  Li  Li12  1  0.781  0.954  0.990  1.0
  Li  Li13  1  0.219  0.236  0.510  1.0
  Li  Li14  1  0.219  0.546  0.208  1.0
  Li  Li15  1  0.781  0.264  0.292  1.0
  Li  Li16  1  0.802  0.208  0.746  1.0
  Li  Li17  1  0.198  0.292  0.944  1.0
  Li  Li18  1  0.802  0.990  0.556  1.0
  Li  Li19  1  0.198  0.510  0.754  1.0
  Li  Li20  1  0.310  0.944  0.264  1.0
  Li  Li21  1  0.310  0.746  0.546  1.0
  Li  Li22  1  0.690  0.754  0.236  1.0
  Li  Li23  1  0.690  0.556  0.954  1.0
  Bi  Bi24  1  0.262  0.000  0.762  1.0
  Bi  Bi25  1  0.738  0.762  0.738  1.0
  Bi  Bi26  1  0.738  0.500  0.500  1.0
  Bi  Bi27  1  0.262  0.738  0.000  1.0
  Bi  Bi28  1  0.738  0.000  0.238  1.0
  Bi  Bi29  1  0.262  0.238  0.262  1.0
  Bi  Bi30  1  0.262  0.500  0.500  1.0
  Bi  Bi31  1  0.738  0.262  0.000  1.0
  N  N32  1  0.000  0.000  0.500  1.0
  N  N33  1  0.000  0.500  0.000  1.0
  N  N34  1  0.000  0.500  0.500  1.0
  N  N35  1  0.000  0.000  0.000  1.0
  N  N36  1  0.500  0.019  0.750  1.0
  N  N37  1  0.500  0.481  0.250  1.0
  N  N38  1  0.000  0.250  0.769  1.0
  N  N39  1  0.000  0.750  0.731  1.0
  N  N40  1  0.462  0.769  0.481  1.0
  N  N41  1  0.538  0.731  0.019  1.0
  N  N42  1  0.500  0.981  0.250  1.0
  N  N43  1  0.500  0.519  0.750  1.0
  N  N44  1  0.000  0.750  0.231  1.0
  N  N45  1  0.000  0.250  0.269  1.0
  N  N46  1  0.538  0.231  0.519  1.0
  N  N47  1  0.462  0.269  0.981  1.0
[/CIF]
.
The material structure described by Li3BiN2 crystallizes in the cubic Ia-3 space group. Li(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. Bi(1) is bonded to one N(1) and three equivalent N(2) atoms to form distorted corner-sharing BiN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a hexagonal bipyramidal geometry to six equivalent Li(1) and two equivalent Bi(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3BiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.332
_cell_length_b   10.775
_cell_length_c   10.775
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   625.572
_cell_formula_units_Z   8
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  0.219  0.046  0.010  1.0
  Li  Li1  1  0.781  0.764  0.490  1.0
  Li  Li2  1  0.781  0.454  0.792  1.0
  Li  Li3  1  0.219  0.736  0.708  1.0
  Li  Li4  1  0.198  0.792  0.254  1.0
  Li  Li5  1  0.802  0.708  0.056  1.0
  Li  Li6  1  0.198  0.010  0.444  1.0
  Li  Li7  1  0.802  0.490  0.246  1.0
  Li  Li8  1  0.690  0.056  0.736  1.0
  Li  Li9  1  0.690  0.254  0.454  1.0
  Li  Li10  1  0.310  0.246  0.764  1.0
  Li  Li11  1  0.310  0.444  0.046  1.0
  Li  Li12  1  0.781  0.954  0.990  1.0
  Li  Li13  1  0.219  0.236  0.510  1.0
  Li  Li14  1  0.219  0.546  0.208  1.0
  Li  Li15  1  0.781  0.264  0.292  1.0
  Li  Li16  1  0.802  0.208  0.746  1.0
  Li  Li17  1  0.198  0.292  0.944  1.0
  Li  Li18  1  0.802  0.990  0.556  1.0
  Li  Li19  1  0.198  0.510  0.754  1.0
  Li  Li20  1  0.310  0.944  0.264  1.0
  Li  Li21  1  0.310  0.746  0.546  1.0
  Li  Li22  1  0.690  0.754  0.236  1.0
  Li  Li23  1  0.690  0.556  0.954  1.0
  Bi  Bi24  1  0.262  0.000  0.762  1.0
  Bi  Bi25  1  0.738  0.762  0.738  1.0
  Bi  Bi26  1  0.738  0.500  0.500  1.0
  Bi  Bi27  1  0.262  0.738  0.000  1.0
  Bi  Bi28  1  0.738  0.000  0.238  1.0
  Bi  Bi29  1  0.262  0.238  0.262  1.0
  Bi  Bi30  1  0.262  0.500  0.500  1.0
  Bi  Bi31  1  0.738  0.262  0.000  1.0
  N  N32  1  0.000  0.000  0.500  1.0
  N  N33  1  0.000  0.500  0.000  1.0
  N  N34  1  0.000  0.500  0.500  1.0
  N  N35  1  0.000  0.000  0.000  1.0
  N  N36  1  0.500  0.019  0.750  1.0
  N  N37  1  0.500  0.481  0.250  1.0
  N  N38  1  0.000  0.250  0.769  1.0
  N  N39  1  0.000  0.750  0.731  1.0
  N  N40  1  0.462  0.769  0.481  1.0
  N  N41  1  0.538  0.731  0.019  1.0
  N  N42  1  0.500  0.981  0.250  1.0
  N  N43  1  0.500  0.519  0.750  1.0
  N  N44  1  0.000  0.750  0.231  1.0
  N  N45  1  0.000  0.250  0.269  1.0
  N  N46  1  0.538  0.231  0.519  1.0
  N  N47  1  0.462  0.269  0.981  1.0
[/CIF]
.