The crystal structure described by MoRuN3 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(3), one N(5), and two equivalent N(2) atoms to form distorted MoN5 trigonal bipyramids that share  a cornercorner with one Mo(2)N5 trigonal bipyramid, corners with two equivalent Ru(1)N5 trigonal bipyramids,  an edgeedge with one Mo(1)N5 trigonal bipyramid,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and  an edgeedge with one Ru(1)N5 trigonal bipyramid. In the second Mo site, Mo(2) is bonded to one N(2), one N(5), one N(6), and two equivalent N(4) atoms to form distorted MoN5 trigonal bipyramids that share  a cornercorner with one Mo(1)N5 trigonal bipyramid,  a cornercorner with one Ru(1)N5 trigonal bipyramid,  an edgeedge with one Mo(1)N5 trigonal bipyramid,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and edges with two equivalent Ru(1)N5 trigonal bipyramids. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one N(1), one N(2), one N(4), one N(5), and one N(6) atom to form distorted RuN5 trigonal bipyramids that share  a cornercorner with one Mo(2)N5 trigonal bipyramid, corners with two equivalent Mo(1)N5 trigonal bipyramids,  an edgeedge with one Mo(1)N5 trigonal bipyramid, and edges with two equivalent Mo(2)N5 trigonal bipyramids. In the second Ru site, Ru(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), one N(4), and one N(6) atom. 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 Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), two equivalent Mo(1), and one Ru(1) atom. In the third N site, N(3) is bonded in an L-shaped geometry to one Mo(1) and one Ru(2) atom. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to two equivalent Mo(2), one Ru(1), and one Ru(2) atom. In the fifth N site, N(5) is bonded in a T-shaped geometry to one Mo(1), one Mo(2), and one Ru(1) atom. In the sixth N site, N(6) is bonded in a T-shaped geometry to one Mo(2), one Ru(1), and one Ru(2) atom. is represented by the CIF card [CIF]
data_MoRuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.396
_cell_length_b   5.574
_cell_length_c   7.900
_cell_angle_alpha   107.122
_cell_angle_beta   103.692
_cell_angle_gamma   111.851
_symmetry_Int_Tables_number   1
_cell_volume   301.905
_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
  Mo  Mo0  1  0.980  0.707  0.647  1.0
  Mo  Mo1  1  0.020  0.293  0.353  1.0
  Mo  Mo2  1  0.616  0.960  0.161  1.0
  Mo  Mo3  1  0.384  0.040  0.839  1.0
  Ru  Ru4  1  0.689  0.641  0.341  1.0
  Ru  Ru5  1  0.311  0.359  0.659  1.0
  Ru  Ru6  1  0.699  0.675  0.783  1.0
  Ru  Ru7  1  0.301  0.325  0.217  1.0
  N  N8  1  0.732  0.792  0.598  1.0
  N  N9  1  0.268  0.208  0.402  1.0
  N  N10  1  0.811  0.387  0.370  1.0
  N  N11  1  0.189  0.613  0.630  1.0
  N  N12  1  0.928  0.635  0.840  1.0
  N  N13  1  0.072  0.365  0.160  1.0
  N  N14  1  0.531  0.804  0.884  1.0
  N  N15  1  0.469  0.196  0.116  1.0
  N  N16  1  0.838  0.890  0.246  1.0
  N  N17  1  0.162  0.110  0.754  1.0
  N  N18  1  0.533  0.294  0.764  1.0
  N  N19  1  0.467  0.706  0.236  1.0
[/CIF]
.
The crystal structure described by MoRuN3 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(3), one N(5), and two equivalent N(2) atoms to form distorted MoN5 trigonal bipyramids that share  a cornercorner with one Mo(2)N5 trigonal bipyramid, corners with two equivalent Ru(1)N5 trigonal bipyramids,  an edgeedge with one Mo(1)N5 trigonal bipyramid,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and  an edgeedge with one Ru(1)N5 trigonal bipyramid. In the second Mo site, Mo(2) is bonded to one N(2), one N(5), one N(6), and two equivalent N(4) atoms to form distorted MoN5 trigonal bipyramids that share  a cornercorner with one Mo(1)N5 trigonal bipyramid,  a cornercorner with one Ru(1)N5 trigonal bipyramid,  an edgeedge with one Mo(1)N5 trigonal bipyramid,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and edges with two equivalent Ru(1)N5 trigonal bipyramids. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one N(1), one N(2), one N(4), one N(5), and one N(6) atom to form distorted RuN5 trigonal bipyramids that share  a cornercorner with one Mo(2)N5 trigonal bipyramid, corners with two equivalent Mo(1)N5 trigonal bipyramids,  an edgeedge with one Mo(1)N5 trigonal bipyramid, and edges with two equivalent Mo(2)N5 trigonal bipyramids. In the second Ru site, Ru(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), one N(4), and one N(6) atom. 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 Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), two equivalent Mo(1), and one Ru(1) atom. In the third N site, N(3) is bonded in an L-shaped geometry to one Mo(1) and one Ru(2) atom. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to two equivalent Mo(2), one Ru(1), and one Ru(2) atom. In the fifth N site, N(5) is bonded in a T-shaped geometry to one Mo(1), one Mo(2), and one Ru(1) atom. In the sixth N site, N(6) is bonded in a T-shaped geometry to one Mo(2), one Ru(1), and one Ru(2) atom. is represented by the CIF card [CIF]
data_MoRuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.396
_cell_length_b   5.574
_cell_length_c   7.900
_cell_angle_alpha   107.122
_cell_angle_beta   103.692
_cell_angle_gamma   111.851
_symmetry_Int_Tables_number   1
_cell_volume   301.905
_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
  Mo  Mo0  1  0.980  0.707  0.647  1.0
  Mo  Mo1  1  0.020  0.293  0.353  1.0
  Mo  Mo2  1  0.616  0.960  0.161  1.0
  Mo  Mo3  1  0.384  0.040  0.839  1.0
  Ru  Ru4  1  0.689  0.641  0.341  1.0
  Ru  Ru5  1  0.311  0.359  0.659  1.0
  Ru  Ru6  1  0.699  0.675  0.783  1.0
  Ru  Ru7  1  0.301  0.325  0.217  1.0
  N  N8  1  0.732  0.792  0.598  1.0
  N  N9  1  0.268  0.208  0.402  1.0
  N  N10  1  0.811  0.387  0.370  1.0
  N  N11  1  0.189  0.613  0.630  1.0
  N  N12  1  0.928  0.635  0.840  1.0
  N  N13  1  0.072  0.365  0.160  1.0
  N  N14  1  0.531  0.804  0.884  1.0
  N  N15  1  0.469  0.196  0.116  1.0
  N  N16  1  0.838  0.890  0.246  1.0
  N  N17  1  0.162  0.110  0.754  1.0
  N  N18  1  0.533  0.294  0.764  1.0
  N  N19  1  0.467  0.706  0.236  1.0
[/CIF]
.