The crystal structure described by YGa2N3 crystallizes in the orthorhombic Cmc2_1 space group. Y(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. Ga(1) is bonded to one N(2) and three equivalent N(1) atoms to form corner-sharing GaN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Ga(1) atoms. In the second N site, N(1) is bonded to one Y(1) and three equivalent Ga(1) atoms to form corner-sharing NYGa3 tetrahedra. is represented by the CIF file [CIF]
data_YGa2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.970
_cell_length_b   5.934
_cell_length_c   5.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.805
_symmetry_Int_Tables_number   1
_cell_volume   162.906
_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
  Y  Y0  1  0.000  0.688  0.472  1.0
  Y  Y1  1  0.000  0.312  0.972  1.0
  Ga  Ga2  1  0.347  0.340  0.490  1.0
  Ga  Ga3  1  0.653  0.992  0.490  1.0
  Ga  Ga4  1  0.653  0.660  0.990  1.0
  Ga  Ga5  1  0.347  0.008  0.990  1.0
  N  N6  1  0.376  0.330  0.859  1.0
  N  N7  1  0.624  0.954  0.859  1.0
  N  N8  1  0.624  0.670  0.359  1.0
  N  N9  1  0.376  0.046  0.359  1.0
  N  N10  1  0.000  0.696  0.918  1.0
  N  N11  1  0.000  0.304  0.418  1.0
[/CIF]
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The crystal structure described by YGa2N3 crystallizes in the orthorhombic Cmc2_1 space group. Y(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. Ga(1) is bonded to one N(2) and three equivalent N(1) atoms to form corner-sharing GaN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Ga(1) atoms. In the second N site, N(1) is bonded to one Y(1) and three equivalent Ga(1) atoms to form corner-sharing NYGa3 tetrahedra. is represented by the CIF file [CIF]
data_YGa2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.970
_cell_length_b   5.934
_cell_length_c   5.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.805
_symmetry_Int_Tables_number   1
_cell_volume   162.906
_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
  Y  Y0  1  0.000  0.688  0.472  1.0
  Y  Y1  1  0.000  0.312  0.972  1.0
  Ga  Ga2  1  0.347  0.340  0.490  1.0
  Ga  Ga3  1  0.653  0.992  0.490  1.0
  Ga  Ga4  1  0.653  0.660  0.990  1.0
  Ga  Ga5  1  0.347  0.008  0.990  1.0
  N  N6  1  0.376  0.330  0.859  1.0
  N  N7  1  0.624  0.954  0.859  1.0
  N  N8  1  0.624  0.670  0.359  1.0
  N  N9  1  0.376  0.046  0.359  1.0
  N  N10  1  0.000  0.696  0.918  1.0
  N  N11  1  0.000  0.304  0.418  1.0
[/CIF]
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