The material structure described by YAlN2 crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) atoms. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing AlN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Al(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_YAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   6.894
_cell_length_c   5.734
_cell_angle_alpha   90.000
_cell_angle_beta   109.059
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.948
_cell_formula_units_Z   4
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
  Y  Y0  1  0.368  0.903  0.702  1.0
  Y  Y1  1  0.632  0.403  0.798  1.0
  Y  Y2  1  0.632  0.097  0.298  1.0
  Y  Y3  1  0.368  0.597  0.202  1.0
  Al  Al4  1  0.117  0.351  0.606  1.0
  Al  Al5  1  0.883  0.851  0.894  1.0
  Al  Al6  1  0.883  0.649  0.394  1.0
  Al  Al7  1  0.117  0.149  0.106  1.0
  N  N8  1  0.225  0.895  0.032  1.0
  N  N9  1  0.775  0.395  0.468  1.0
  N  N10  1  0.775  0.105  0.968  1.0
  N  N11  1  0.225  0.605  0.532  1.0
  N  N12  1  0.265  0.328  0.951  1.0
  N  N13  1  0.735  0.828  0.549  1.0
  N  N14  1  0.735  0.672  0.049  1.0
  N  N15  1  0.265  0.172  0.451  1.0
[/CIF]
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The material structure described by YAlN2 crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) atoms. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing AlN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Al(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_YAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   6.894
_cell_length_c   5.734
_cell_angle_alpha   90.000
_cell_angle_beta   109.059
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.948
_cell_formula_units_Z   4
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
  Y  Y0  1  0.368  0.903  0.702  1.0
  Y  Y1  1  0.632  0.403  0.798  1.0
  Y  Y2  1  0.632  0.097  0.298  1.0
  Y  Y3  1  0.368  0.597  0.202  1.0
  Al  Al4  1  0.117  0.351  0.606  1.0
  Al  Al5  1  0.883  0.851  0.894  1.0
  Al  Al6  1  0.883  0.649  0.394  1.0
  Al  Al7  1  0.117  0.149  0.106  1.0
  N  N8  1  0.225  0.895  0.032  1.0
  N  N9  1  0.775  0.395  0.468  1.0
  N  N10  1  0.775  0.105  0.968  1.0
  N  N11  1  0.225  0.605  0.532  1.0
  N  N12  1  0.265  0.328  0.951  1.0
  N  N13  1  0.735  0.828  0.549  1.0
  N  N14  1  0.735  0.672  0.049  1.0
  N  N15  1  0.265  0.172  0.451  1.0
[/CIF]
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