The compound described by ScMoN3 crystallizes in the triclinic P-1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one N(1), one N(2), one N(4), one N(5), and one N(6) atom to form distorted ScN5 trigonal bipyramids that share corners with two equivalent Sc(2)N6 octahedra,  a cornercorner with one Mo(2)N5 trigonal bipyramid, corners with two equivalent Mo(1)N5 trigonal bipyramids,  an edgeedge with one Sc(2)N6 octahedra,  an edgeedge with one Mo(1)N5 trigonal bipyramid, and edges with two equivalent Mo(2)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-43°. In the second Sc site, Sc(2) is bonded to one N(1), one N(4), one N(5), one N(6), and two equivalent N(3) atoms to form ScN6 octahedra that share corners with two equivalent Sc(1)N5 trigonal bipyramids, corners with two equivalent Mo(2)N5 trigonal bipyramids,  an edgeedge with one Sc(2)N6 octahedra,  an edgeedge with one Sc(1)N5 trigonal bipyramid,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and edges with two equivalent Mo(1)N5 trigonal bipyramids. 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 Sc(1)N5 trigonal bipyramids, edges with two equivalent Sc(2)N6 octahedra,  an edgeedge with one Sc(1)N5 trigonal bipyramid,  an edgeedge with one Mo(1)N5 trigonal bipyramid, and  an edgeedge with one Mo(2)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 MoN5 trigonal bipyramids that share corners with two equivalent Sc(2)N6 octahedra,  a cornercorner with one Sc(1)N5 trigonal bipyramid,  a cornercorner with one Mo(1)N5 trigonal bipyramid,  an edgeedge with one Sc(2)N6 octahedra,  an edgeedge with one Mo(1)N5 trigonal bipyramid,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and edges with two equivalent Sc(1)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-42°. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Sc(1), one Sc(2), and one Mo(1) atom. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Sc(1), one Mo(2), and two equivalent Mo(1) atoms. In the third N site, N(3) is bonded in a distorted T-shaped geometry to two equivalent Sc(2) and one Mo(1) atom. In the fourth N site, N(4) is bonded in a see-saw-like geometry to one Sc(1), one Sc(2), and two equivalent Mo(2) atoms. In the fifth N site, N(5) is bonded in a trigonal pyramidal geometry to one Sc(1), one Sc(2), one Mo(1), and one Mo(2) atom. In the sixth N site, N(6) is bonded in a T-shaped geometry to one Sc(1), one Sc(2), and one Mo(2) atom. is represented by the CIF file [CIF]
data_ScMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.280
_cell_length_b   5.716
_cell_length_c   7.821
_cell_angle_alpha   106.051
_cell_angle_beta   102.898
_cell_angle_gamma   119.839
_symmetry_Int_Tables_number   1
_cell_volume   311.774
_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
  Sc  Sc0  1  0.678  0.605  0.327  1.0
  Sc  Sc1  1  0.322  0.395  0.673  1.0
  Sc  Sc2  1  0.766  0.789  0.893  1.0
  Sc  Sc3  1  0.234  0.211  0.107  1.0
  Mo  Mo4  1  0.980  0.731  0.681  1.0
  Mo  Mo5  1  0.020  0.269  0.319  1.0
  Mo  Mo6  1  0.597  0.987  0.179  1.0
  Mo  Mo7  1  0.403  0.013  0.821  1.0
  N  N8  1  0.811  0.813  0.633  1.0
  N  N9  1  0.189  0.187  0.367  1.0
  N  N10  1  0.813  0.374  0.383  1.0
  N  N11  1  0.187  0.626  0.617  1.0
  N  N12  1  0.973  0.700  0.899  1.0
  N  N13  1  0.027  0.300  0.101  1.0
  N  N14  1  0.549  0.860  0.887  1.0
  N  N15  1  0.451  0.140  0.113  1.0
  N  N16  1  0.788  0.865  0.189  1.0
  N  N17  1  0.212  0.135  0.811  1.0
  N  N18  1  0.521  0.298  0.747  1.0
  N  N19  1  0.479  0.702  0.253  1.0
[/CIF]
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The compound described by ScMoN3 crystallizes in the triclinic P-1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one N(1), one N(2), one N(4), one N(5), and one N(6) atom to form distorted ScN5 trigonal bipyramids that share corners with two equivalent Sc(2)N6 octahedra,  a cornercorner with one Mo(2)N5 trigonal bipyramid, corners with two equivalent Mo(1)N5 trigonal bipyramids,  an edgeedge with one Sc(2)N6 octahedra,  an edgeedge with one Mo(1)N5 trigonal bipyramid, and edges with two equivalent Mo(2)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-43°. In the second Sc site, Sc(2) is bonded to one N(1), one N(4), one N(5), one N(6), and two equivalent N(3) atoms to form ScN6 octahedra that share corners with two equivalent Sc(1)N5 trigonal bipyramids, corners with two equivalent Mo(2)N5 trigonal bipyramids,  an edgeedge with one Sc(2)N6 octahedra,  an edgeedge with one Sc(1)N5 trigonal bipyramid,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and edges with two equivalent Mo(1)N5 trigonal bipyramids. 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 Sc(1)N5 trigonal bipyramids, edges with two equivalent Sc(2)N6 octahedra,  an edgeedge with one Sc(1)N5 trigonal bipyramid,  an edgeedge with one Mo(1)N5 trigonal bipyramid, and  an edgeedge with one Mo(2)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 MoN5 trigonal bipyramids that share corners with two equivalent Sc(2)N6 octahedra,  a cornercorner with one Sc(1)N5 trigonal bipyramid,  a cornercorner with one Mo(1)N5 trigonal bipyramid,  an edgeedge with one Sc(2)N6 octahedra,  an edgeedge with one Mo(1)N5 trigonal bipyramid,  an edgeedge with one Mo(2)N5 trigonal bipyramid, and edges with two equivalent Sc(1)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-42°. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Sc(1), one Sc(2), and one Mo(1) atom. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Sc(1), one Mo(2), and two equivalent Mo(1) atoms. In the third N site, N(3) is bonded in a distorted T-shaped geometry to two equivalent Sc(2) and one Mo(1) atom. In the fourth N site, N(4) is bonded in a see-saw-like geometry to one Sc(1), one Sc(2), and two equivalent Mo(2) atoms. In the fifth N site, N(5) is bonded in a trigonal pyramidal geometry to one Sc(1), one Sc(2), one Mo(1), and one Mo(2) atom. In the sixth N site, N(6) is bonded in a T-shaped geometry to one Sc(1), one Sc(2), and one Mo(2) atom. is represented by the CIF file [CIF]
data_ScMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.280
_cell_length_b   5.716
_cell_length_c   7.821
_cell_angle_alpha   106.051
_cell_angle_beta   102.898
_cell_angle_gamma   119.839
_symmetry_Int_Tables_number   1
_cell_volume   311.774
_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
  Sc  Sc0  1  0.678  0.605  0.327  1.0
  Sc  Sc1  1  0.322  0.395  0.673  1.0
  Sc  Sc2  1  0.766  0.789  0.893  1.0
  Sc  Sc3  1  0.234  0.211  0.107  1.0
  Mo  Mo4  1  0.980  0.731  0.681  1.0
  Mo  Mo5  1  0.020  0.269  0.319  1.0
  Mo  Mo6  1  0.597  0.987  0.179  1.0
  Mo  Mo7  1  0.403  0.013  0.821  1.0
  N  N8  1  0.811  0.813  0.633  1.0
  N  N9  1  0.189  0.187  0.367  1.0
  N  N10  1  0.813  0.374  0.383  1.0
  N  N11  1  0.187  0.626  0.617  1.0
  N  N12  1  0.973  0.700  0.899  1.0
  N  N13  1  0.027  0.300  0.101  1.0
  N  N14  1  0.549  0.860  0.887  1.0
  N  N15  1  0.451  0.140  0.113  1.0
  N  N16  1  0.788  0.865  0.189  1.0
  N  N17  1  0.212  0.135  0.811  1.0
  N  N18  1  0.521  0.298  0.747  1.0
  N  N19  1  0.479  0.702  0.253  1.0
[/CIF]
.