The material described by CoAlN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Co(1) is bonded to four equivalent N(1) atoms to form CoN4 tetrahedra that share corners with four equivalent Co(1)N4 tetrahedra and corners with eight equivalent Al(1)N4 tetrahedra. Al(1) is bonded to four equivalent N(1) atoms to form AlN4 tetrahedra that share corners with four equivalent Al(1)N4 tetrahedra and corners with eight equivalent Co(1)N4 tetrahedra. N(1) is bonded to two equivalent Co(1) and two equivalent Al(1) atoms to form corner-sharing NAl2Co2 tetrahedra. is represented by the CIF card [CIF]
data_AlCoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   4.332
_cell_length_c   8.819
_cell_angle_alpha   90.000
_cell_angle_beta   145.213
_cell_angle_gamma   113.792
_symmetry_Int_Tables_number   1
_cell_volume   82.763
_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
  Al  Al0  1  0.000  0.500  0.250  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.500  0.750  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.500  0.997  0.125  1.0
  N  N5  1  0.500  0.003  0.625  1.0
  N  N6  1  0.506  0.503  0.378  1.0
  N  N7  1  0.494  0.497  0.872  1.0
[/CIF]
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The material described by CoAlN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Co(1) is bonded to four equivalent N(1) atoms to form CoN4 tetrahedra that share corners with four equivalent Co(1)N4 tetrahedra and corners with eight equivalent Al(1)N4 tetrahedra. Al(1) is bonded to four equivalent N(1) atoms to form AlN4 tetrahedra that share corners with four equivalent Al(1)N4 tetrahedra and corners with eight equivalent Co(1)N4 tetrahedra. N(1) is bonded to two equivalent Co(1) and two equivalent Al(1) atoms to form corner-sharing NAl2Co2 tetrahedra. is represented by the CIF card [CIF]
data_AlCoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   4.332
_cell_length_c   8.819
_cell_angle_alpha   90.000
_cell_angle_beta   145.213
_cell_angle_gamma   113.792
_symmetry_Int_Tables_number   1
_cell_volume   82.763
_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
  Al  Al0  1  0.000  0.500  0.250  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.500  0.750  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.500  0.997  0.125  1.0
  N  N5  1  0.500  0.003  0.625  1.0
  N  N6  1  0.506  0.503  0.378  1.0
  N  N7  1  0.494  0.497  0.872  1.0
[/CIF]
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