The structure described by MoGaN3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(2), one N(3), and one N(5) atom to form MoN4 tetrahedra that share corners with two equivalent Mo(2)N5 trigonal bipyramids, corners with two equivalent Ga(1)N4 trigonal pyramids, and  an edgeedge with one Ga(2)N4 trigonal pyramid. In the second Mo site, Mo(2) is bonded to one N(2), one N(4), one N(5), and two equivalent N(6) atoms to form distorted MoN5 trigonal bipyramids that share corners with two equivalent Mo(1)N4 tetrahedra,  a cornercorner with one Ga(1)N4 trigonal pyramid, corners with two equivalent Ga(2)N4 trigonal pyramids,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and  an edgeedge with one Ga(1)N4 trigonal pyramid. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1), one N(3), one N(4), and one N(6) atom to form distorted GaN4 trigonal pyramids that share corners with two equivalent Mo(1)N4 tetrahedra,  a cornercorner with one Mo(2)N5 trigonal bipyramid, corners with two equivalent Ga(2)N4 trigonal pyramids,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and  an edgeedge with one Ga(2)N4 trigonal pyramid. In the second Ga site, Ga(2) is bonded to one N(1), one N(3), and two equivalent N(4) atoms to form distorted GaN4 trigonal pyramids that share corners with two equivalent Mo(2)N5 trigonal bipyramids, corners with two equivalent Ga(1)N4 trigonal pyramids,  an edgeedge with one Mo(1)N4 tetrahedra,  an edgeedge with one Ga(1)N4 trigonal pyramid, and  an edgeedge with one Ga(2)N4 trigonal pyramid. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Mo(1), one Ga(1), and one Ga(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the third N site, N(3) is bonded in a T-shaped geometry to one Mo(1), one Ga(1), and one Ga(2) atom. In the fourth N site, N(4) is bonded to one Mo(2), one Ga(1), and two equivalent Ga(2) atoms to form distorted edge-sharing NGa3Mo trigonal pyramids. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the sixth N site, N(6) is bonded in a distorted T-shaped geometry to two equivalent Mo(2) and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.503
_cell_length_b   5.886
_cell_length_c   9.483
_cell_angle_alpha   123.116
_cell_angle_beta   108.057
_cell_angle_gamma   117.092
_symmetry_Int_Tables_number   1
_cell_volume   344.574
_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
  Ga  Ga0  1  0.679  0.833  0.462  1.0
  Ga  Ga1  1  0.321  0.167  0.538  1.0
  Ga  Ga2  1  0.641  0.341  0.582  1.0
  Ga  Ga3  1  0.359  0.659  0.418  1.0
  Mo  Mo4  1  0.910  0.716  0.642  1.0
  Mo  Mo5  1  0.090  0.284  0.358  1.0
  Mo  Mo6  1  0.669  0.725  0.061  1.0
  Mo  Mo7  1  0.331  0.275  0.939  1.0
  N  N8  1  0.743  0.700  0.579  1.0
  N  N9  1  0.257  0.300  0.421  1.0
  N  N10  1  0.815  0.303  0.325  1.0
  N  N11  1  0.185  0.697  0.675  1.0
  N  N12  1  0.853  0.453  0.699  1.0
  N  N13  1  0.147  0.547  0.301  1.0
  N  N14  1  0.530  0.313  0.682  1.0
  N  N15  1  0.470  0.687  0.318  1.0
  N  N16  1  0.843  0.774  0.119  1.0
  N  N17  1  0.157  0.226  0.881  1.0
  N  N18  1  0.410  0.475  0.858  1.0
  N  N19  1  0.590  0.525  0.142  1.0
[/CIF]
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The structure described by MoGaN3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(2), one N(3), and one N(5) atom to form MoN4 tetrahedra that share corners with two equivalent Mo(2)N5 trigonal bipyramids, corners with two equivalent Ga(1)N4 trigonal pyramids, and  an edgeedge with one Ga(2)N4 trigonal pyramid. In the second Mo site, Mo(2) is bonded to one N(2), one N(4), one N(5), and two equivalent N(6) atoms to form distorted MoN5 trigonal bipyramids that share corners with two equivalent Mo(1)N4 tetrahedra,  a cornercorner with one Ga(1)N4 trigonal pyramid, corners with two equivalent Ga(2)N4 trigonal pyramids,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and  an edgeedge with one Ga(1)N4 trigonal pyramid. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1), one N(3), one N(4), and one N(6) atom to form distorted GaN4 trigonal pyramids that share corners with two equivalent Mo(1)N4 tetrahedra,  a cornercorner with one Mo(2)N5 trigonal bipyramid, corners with two equivalent Ga(2)N4 trigonal pyramids,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and  an edgeedge with one Ga(2)N4 trigonal pyramid. In the second Ga site, Ga(2) is bonded to one N(1), one N(3), and two equivalent N(4) atoms to form distorted GaN4 trigonal pyramids that share corners with two equivalent Mo(2)N5 trigonal bipyramids, corners with two equivalent Ga(1)N4 trigonal pyramids,  an edgeedge with one Mo(1)N4 tetrahedra,  an edgeedge with one Ga(1)N4 trigonal pyramid, and  an edgeedge with one Ga(2)N4 trigonal pyramid. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Mo(1), one Ga(1), and one Ga(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the third N site, N(3) is bonded in a T-shaped geometry to one Mo(1), one Ga(1), and one Ga(2) atom. In the fourth N site, N(4) is bonded to one Mo(2), one Ga(1), and two equivalent Ga(2) atoms to form distorted edge-sharing NGa3Mo trigonal pyramids. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the sixth N site, N(6) is bonded in a distorted T-shaped geometry to two equivalent Mo(2) and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.503
_cell_length_b   5.886
_cell_length_c   9.483
_cell_angle_alpha   123.116
_cell_angle_beta   108.057
_cell_angle_gamma   117.092
_symmetry_Int_Tables_number   1
_cell_volume   344.574
_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
  Ga  Ga0  1  0.679  0.833  0.462  1.0
  Ga  Ga1  1  0.321  0.167  0.538  1.0
  Ga  Ga2  1  0.641  0.341  0.582  1.0
  Ga  Ga3  1  0.359  0.659  0.418  1.0
  Mo  Mo4  1  0.910  0.716  0.642  1.0
  Mo  Mo5  1  0.090  0.284  0.358  1.0
  Mo  Mo6  1  0.669  0.725  0.061  1.0
  Mo  Mo7  1  0.331  0.275  0.939  1.0
  N  N8  1  0.743  0.700  0.579  1.0
  N  N9  1  0.257  0.300  0.421  1.0
  N  N10  1  0.815  0.303  0.325  1.0
  N  N11  1  0.185  0.697  0.675  1.0
  N  N12  1  0.853  0.453  0.699  1.0
  N  N13  1  0.147  0.547  0.301  1.0
  N  N14  1  0.530  0.313  0.682  1.0
  N  N15  1  0.470  0.687  0.318  1.0
  N  N16  1  0.843  0.774  0.119  1.0
  N  N17  1  0.157  0.226  0.881  1.0
  N  N18  1  0.410  0.475  0.858  1.0
  N  N19  1  0.590  0.525  0.142  1.0
[/CIF]
.