The crystal structure described by Y2GaN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. Ga(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing GaN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Ga(1) atoms. In the second N site, N(1) is bonded in an octahedral geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Ga(1) atoms. In the third N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Ga(1) atom. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2GaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   10.475
_cell_length_c   11.428
_cell_angle_alpha   90.000
_cell_angle_beta   91.840
_cell_angle_gamma   151.903
_symmetry_Int_Tables_number   1
_cell_volume   333.931
_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  0.476  0.028  0.852  1.0
  Y  Y1  1  0.524  0.552  0.648  1.0
  Y  Y2  1  0.524  0.972  0.148  1.0
  Y  Y3  1  0.476  0.448  0.352  1.0
  Y  Y4  1  0.559  0.887  0.573  1.0
  Y  Y5  1  0.441  0.329  0.927  1.0
  Y  Y6  1  0.441  0.113  0.427  1.0
  Y  Y7  1  0.559  0.671  0.073  1.0
  Ga  Ga8  1  0.552  0.273  0.662  1.0
  Ga  Ga9  1  0.448  0.721  0.838  1.0
  Ga  Ga10  1  0.448  0.727  0.338  1.0
  Ga  Ga11  1  0.552  0.279  0.162  1.0
  N  N12  1  0.000  0.612  0.750  1.0
  N  N13  1  0.000  0.388  0.250  1.0
  N  N14  1  0.687  0.161  0.625  1.0
  N  N15  1  0.313  0.474  0.875  1.0
  N  N16  1  0.313  0.839  0.375  1.0
  N  N17  1  0.687  0.526  0.125  1.0
  N  N18  1  0.401  0.098  0.024  1.0
  N  N19  1  0.599  0.697  0.476  1.0
  N  N20  1  0.599  0.902  0.976  1.0
  N  N21  1  0.401  0.303  0.524  1.0
  N  N22  1  0.000  0.974  0.750  1.0
  N  N23  1  0.000  0.026  0.250  1.0
[/CIF]
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The crystal structure described by Y2GaN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. Ga(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing GaN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Ga(1) atoms. In the second N site, N(1) is bonded in an octahedral geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Ga(1) atoms. In the third N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Ga(1) atom. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2GaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   10.475
_cell_length_c   11.428
_cell_angle_alpha   90.000
_cell_angle_beta   91.840
_cell_angle_gamma   151.903
_symmetry_Int_Tables_number   1
_cell_volume   333.931
_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  0.476  0.028  0.852  1.0
  Y  Y1  1  0.524  0.552  0.648  1.0
  Y  Y2  1  0.524  0.972  0.148  1.0
  Y  Y3  1  0.476  0.448  0.352  1.0
  Y  Y4  1  0.559  0.887  0.573  1.0
  Y  Y5  1  0.441  0.329  0.927  1.0
  Y  Y6  1  0.441  0.113  0.427  1.0
  Y  Y7  1  0.559  0.671  0.073  1.0
  Ga  Ga8  1  0.552  0.273  0.662  1.0
  Ga  Ga9  1  0.448  0.721  0.838  1.0
  Ga  Ga10  1  0.448  0.727  0.338  1.0
  Ga  Ga11  1  0.552  0.279  0.162  1.0
  N  N12  1  0.000  0.612  0.750  1.0
  N  N13  1  0.000  0.388  0.250  1.0
  N  N14  1  0.687  0.161  0.625  1.0
  N  N15  1  0.313  0.474  0.875  1.0
  N  N16  1  0.313  0.839  0.375  1.0
  N  N17  1  0.687  0.526  0.125  1.0
  N  N18  1  0.401  0.098  0.024  1.0
  N  N19  1  0.599  0.697  0.476  1.0
  N  N20  1  0.599  0.902  0.976  1.0
  N  N21  1  0.401  0.303  0.524  1.0
  N  N22  1  0.000  0.974  0.750  1.0
  N  N23  1  0.000  0.026  0.250  1.0
[/CIF]
.