The crystal structure described by MoCoN3 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 edge-sharing MoN5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one N(2), one N(4), one N(5), and two equivalent N(6) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(6) atom. In the second Co site, Co(2) is bonded in a distorted T-shaped geometry to one N(1), one N(3), and one N(4) atom. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Mo(1), one Co(1), and one Co(2) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third N site, N(3) is bonded in an L-shaped geometry to one Mo(1) and one Co(2) atom. In the fourth N site, N(4) is bonded in a T-shaped geometry to one Mo(2), one Co(1), and one Co(2) atom. In the fifth N site, N(5) is bonded in a water-like geometry to one Mo(1) and one Mo(2) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to two equivalent Mo(2) and one Co(1) atom. is represented by the CIF file [CIF]
data_CoMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.174
_cell_length_b   6.352
_cell_length_c   9.448
_cell_angle_alpha   124.777
_cell_angle_beta   101.332
_cell_angle_gamma   114.683
_symmetry_Int_Tables_number   1
_cell_volume   370.461
_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
  Co  Co0  1  0.579  0.595  0.326  1.0
  Co  Co1  1  0.421  0.405  0.674  1.0
  Co  Co2  1  0.659  0.617  0.617  1.0
  Co  Co3  1  0.341  0.383  0.383  1.0
  Mo  Mo4  1  0.925  0.693  0.614  1.0
  Mo  Mo5  1  0.075  0.307  0.386  1.0
  Mo  Mo6  1  0.699  0.832  0.074  1.0
  Mo  Mo7  1  0.301  0.168  0.926  1.0
  N  N8  1  0.768  0.745  0.514  1.0
  N  N9  1  0.232  0.255  0.486  1.0
  N  N10  1  0.849  0.292  0.322  1.0
  N  N11  1  0.151  0.708  0.678  1.0
  N  N12  1  0.790  0.504  0.667  1.0
  N  N13  1  0.210  0.496  0.333  1.0
  N  N14  1  0.638  0.773  0.822  1.0
  N  N15  1  0.362  0.227  0.178  1.0
  N  N16  1  0.868  0.810  0.104  1.0
  N  N17  1  0.132  0.190  0.896  1.0
  N  N18  1  0.417  0.338  0.824  1.0
  N  N19  1  0.583  0.662  0.176  1.0
[/CIF]
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The crystal structure described by MoCoN3 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 edge-sharing MoN5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one N(2), one N(4), one N(5), and two equivalent N(6) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(6) atom. In the second Co site, Co(2) is bonded in a distorted T-shaped geometry to one N(1), one N(3), and one N(4) atom. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Mo(1), one Co(1), and one Co(2) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third N site, N(3) is bonded in an L-shaped geometry to one Mo(1) and one Co(2) atom. In the fourth N site, N(4) is bonded in a T-shaped geometry to one Mo(2), one Co(1), and one Co(2) atom. In the fifth N site, N(5) is bonded in a water-like geometry to one Mo(1) and one Mo(2) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to two equivalent Mo(2) and one Co(1) atom. is represented by the CIF file [CIF]
data_CoMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.174
_cell_length_b   6.352
_cell_length_c   9.448
_cell_angle_alpha   124.777
_cell_angle_beta   101.332
_cell_angle_gamma   114.683
_symmetry_Int_Tables_number   1
_cell_volume   370.461
_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
  Co  Co0  1  0.579  0.595  0.326  1.0
  Co  Co1  1  0.421  0.405  0.674  1.0
  Co  Co2  1  0.659  0.617  0.617  1.0
  Co  Co3  1  0.341  0.383  0.383  1.0
  Mo  Mo4  1  0.925  0.693  0.614  1.0
  Mo  Mo5  1  0.075  0.307  0.386  1.0
  Mo  Mo6  1  0.699  0.832  0.074  1.0
  Mo  Mo7  1  0.301  0.168  0.926  1.0
  N  N8  1  0.768  0.745  0.514  1.0
  N  N9  1  0.232  0.255  0.486  1.0
  N  N10  1  0.849  0.292  0.322  1.0
  N  N11  1  0.151  0.708  0.678  1.0
  N  N12  1  0.790  0.504  0.667  1.0
  N  N13  1  0.210  0.496  0.333  1.0
  N  N14  1  0.638  0.773  0.822  1.0
  N  N15  1  0.362  0.227  0.178  1.0
  N  N16  1  0.868  0.810  0.104  1.0
  N  N17  1  0.132  0.190  0.896  1.0
  N  N18  1  0.417  0.338  0.824  1.0
  N  N19  1  0.583  0.662  0.176  1.0
[/CIF]
.