The crystal structure described by Lu2N3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing LuN6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Lu site, Lu(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing LuN6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. N(1) is bonded to one Lu(1) and three equivalent Lu(2) atoms to form a mixture of corner and edge-sharing NLu4 tetrahedra. is represented by the CIF file [CIF]
data_Lu2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.189
_cell_length_b   9.189
_cell_length_c   9.189
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   597.212
_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
  Lu  Lu0  1  0.500  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.500  0.000  1.0
  Lu  Lu2  1  0.000  0.000  0.500  1.0
  Lu  Lu3  1  0.500  0.500  0.500  1.0
  Lu  Lu4  1  0.469  0.250  0.719  1.0
  Lu  Lu5  1  0.031  0.750  0.781  1.0
  Lu  Lu6  1  0.250  0.719  0.469  1.0
  Lu  Lu7  1  0.750  0.781  0.031  1.0
  Lu  Lu8  1  0.719  0.469  0.250  1.0
  Lu  Lu9  1  0.781  0.031  0.750  1.0
  Lu  Lu10  1  0.531  0.750  0.281  1.0
  Lu  Lu11  1  0.969  0.250  0.219  1.0
  Lu  Lu12  1  0.750  0.281  0.531  1.0
  Lu  Lu13  1  0.250  0.219  0.969  1.0
  Lu  Lu14  1  0.281  0.531  0.750  1.0
  Lu  Lu15  1  0.219  0.969  0.250  1.0
  N  N16  1  0.531  0.770  0.539  1.0
  N  N17  1  0.769  0.730  0.261  1.0
  N  N18  1  0.969  0.508  0.239  1.0
  N  N19  1  0.731  0.992  0.961  1.0
  N  N20  1  0.770  0.539  0.531  1.0
  N  N21  1  0.730  0.261  0.769  1.0
  N  N22  1  0.508  0.239  0.969  1.0
  N  N23  1  0.992  0.961  0.731  1.0
  N  N24  1  0.539  0.531  0.770  1.0
  N  N25  1  0.261  0.769  0.730  1.0
  N  N26  1  0.239  0.969  0.508  1.0
  N  N27  1  0.961  0.731  0.992  1.0
  N  N28  1  0.469  0.230  0.461  1.0
  N  N29  1  0.231  0.270  0.739  1.0
  N  N30  1  0.031  0.492  0.761  1.0
  N  N31  1  0.269  0.008  0.039  1.0
  N  N32  1  0.230  0.461  0.469  1.0
  N  N33  1  0.270  0.739  0.231  1.0
  N  N34  1  0.492  0.761  0.031  1.0
  N  N35  1  0.008  0.039  0.269  1.0
  N  N36  1  0.461  0.469  0.230  1.0
  N  N37  1  0.739  0.231  0.270  1.0
  N  N38  1  0.761  0.031  0.492  1.0
  N  N39  1  0.039  0.269  0.008  1.0
[/CIF]
.
The crystal structure described by Lu2N3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing LuN6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Lu site, Lu(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing LuN6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. N(1) is bonded to one Lu(1) and three equivalent Lu(2) atoms to form a mixture of corner and edge-sharing NLu4 tetrahedra. is represented by the CIF file [CIF]
data_Lu2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.189
_cell_length_b   9.189
_cell_length_c   9.189
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   597.212
_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
  Lu  Lu0  1  0.500  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.500  0.000  1.0
  Lu  Lu2  1  0.000  0.000  0.500  1.0
  Lu  Lu3  1  0.500  0.500  0.500  1.0
  Lu  Lu4  1  0.469  0.250  0.719  1.0
  Lu  Lu5  1  0.031  0.750  0.781  1.0
  Lu  Lu6  1  0.250  0.719  0.469  1.0
  Lu  Lu7  1  0.750  0.781  0.031  1.0
  Lu  Lu8  1  0.719  0.469  0.250  1.0
  Lu  Lu9  1  0.781  0.031  0.750  1.0
  Lu  Lu10  1  0.531  0.750  0.281  1.0
  Lu  Lu11  1  0.969  0.250  0.219  1.0
  Lu  Lu12  1  0.750  0.281  0.531  1.0
  Lu  Lu13  1  0.250  0.219  0.969  1.0
  Lu  Lu14  1  0.281  0.531  0.750  1.0
  Lu  Lu15  1  0.219  0.969  0.250  1.0
  N  N16  1  0.531  0.770  0.539  1.0
  N  N17  1  0.769  0.730  0.261  1.0
  N  N18  1  0.969  0.508  0.239  1.0
  N  N19  1  0.731  0.992  0.961  1.0
  N  N20  1  0.770  0.539  0.531  1.0
  N  N21  1  0.730  0.261  0.769  1.0
  N  N22  1  0.508  0.239  0.969  1.0
  N  N23  1  0.992  0.961  0.731  1.0
  N  N24  1  0.539  0.531  0.770  1.0
  N  N25  1  0.261  0.769  0.730  1.0
  N  N26  1  0.239  0.969  0.508  1.0
  N  N27  1  0.961  0.731  0.992  1.0
  N  N28  1  0.469  0.230  0.461  1.0
  N  N29  1  0.231  0.270  0.739  1.0
  N  N30  1  0.031  0.492  0.761  1.0
  N  N31  1  0.269  0.008  0.039  1.0
  N  N32  1  0.230  0.461  0.469  1.0
  N  N33  1  0.270  0.739  0.231  1.0
  N  N34  1  0.492  0.761  0.031  1.0
  N  N35  1  0.008  0.039  0.269  1.0
  N  N36  1  0.461  0.469  0.230  1.0
  N  N37  1  0.739  0.231  0.270  1.0
  N  N38  1  0.761  0.031  0.492  1.0
  N  N39  1  0.039  0.269  0.008  1.0
[/CIF]
.